N-[1-(4-chlorophenyl)propan-2-yl]-2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]benzamide;N-[2-(3,4-dichlorophenyl)ethyl]-2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]benzamide;N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]benzamide

C93H102Cl3N9O11 — CID 157463665

IUPACN-[1-(4-chlorophenyl)propan-2-yl]-2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]benzamide;N-[2-(3,4-dichlorophenyl)ethyl]-2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]benzamide;N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]benzamide
SMILESCC(Cc1ccc(Cl)cc1)NC(=O)c1ccccc1C1CCN(CCN2C(=O)COc3ccccc32)CC1.COc1ccc(CCNC(=O)c2ccccc2C2CCN(CCN3C(=O)COc4ccccc43)CC2)cc1OC.O=C(NCCc1ccc(Cl)c(Cl)c1)c1ccccc1C1CCN(CCN2C(=O)COc3ccccc32)CC1
InChIInChI=1S/C32H37N3O5.C31H34ClN3O3.C30H31Cl2N3O3/c1-38-29-12-11-23(21-30(29)39-2)13-16-33-32(37)26-8-4-3-7-25(26)24-14-17-34(18-15-24)19-20-35-27-9-5-6-10-28(27)40-22-31(35)36;1-22(20-23-10-12-25(32)13-11-23)33-31(37)27-7-3-2-6-26(27)24-14-16-34(17-15-24)18-19-35-28-8-4-5-9-29(28)38-21-30(35)36;31-25-10-9-21(19-26(25)32)11-14-33-30(37)24-6-2-1-5-23(24)22-12-15-34(16-13-22)17-18-35-27-7-3-4-8-28(27)38-20-29(35)36/h3-12,21,24H,13-20,22H2,1-2H3,(H,33,37);2-13,22,24H,14-21H2,1H3,(H,33,37);1-10,19,22H,11-18,20H2,(H,33,37)
InChIKeyBUFKSHCAIXIINB-UHFFFAOYSA-N
MW1628.25 g/mol
LogP15.16
Rot. Bonds26

About N-[1-(4-chlorophenyl)propan-2-yl]-2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]benzamide;N-[2-(3,4-dichlorophenyl)ethyl]-2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]benzamide;N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]benzamide

N-[1-(4-chlorophenyl)propan-2-yl]-2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]benzamide;N-[2-(3,4-dichlorophenyl)ethyl]-2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]benzamide;N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]benzamide (PubChem CID 157463665) has the molecular formula C93H102Cl3N9O11 and a molecular weight of 1628.25 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)propan-2-yl]-2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]benzamide;N-[2-(3,4-dichlorophenyl)ethyl]-2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]benzamide;N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)propan-2-yl]-2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]benzamide;N-[2-(3,4-dichlorophenyl)ethyl]-2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]benzamide;N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]benzamide
PubChem CID157463665
Molecular FormulaC93H102Cl3N9O11
Molecular Weight1628.25 g/mol
Exact Mass1625.68
IUPAC NameN-[1-(4-chlorophenyl)propan-2-yl]-2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]benzamide;N-[2-(3,4-dichlorophenyl)ethyl]-2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]benzamide;N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]benzamide
SMILESCC(Cc1ccc(Cl)cc1)NC(=O)c1ccccc1C1CCN(CCN2C(=O)COc3ccccc32)CC1.COc1ccc(CCNC(=O)c2ccccc2C2CCN(CCN3C(=O)COc4ccccc43)CC2)cc1OC.O=C(NCCc1ccc(Cl)c(Cl)c1)c1ccccc1C1CCN(CCN2C(=O)COc3ccccc32)CC1
InChIInChI=1S/C32H37N3O5.C31H34ClN3O3.C30H31Cl2N3O3/c1-38-29-12-11-23(21-30(29)39-2)13-16-33-32(37)26-8-4-3-7-25(26)24-14-17-34(18-15-24)19-20-35-27-9-5-6-10-28(27)40-22-31(35)36;1-22(20-23-10-12-25(32)13-11-23)33-31(37)27-7-3-2-6-26(27)24-14-16-34(17-15-24)18-19-35-28-8-4-5-9-29(28)38-21-30(35)36;31-25-10-9-21(19-26(25)32)11-14-33-30(37)24-6-2-1-5-23(24)22-12-15-34(16-13-22)17-18-35-27-7-3-4-8-28(27)38-20-29(35)36/h3-12,21,24H,13-20,22H2,1-2H3,(H,33,37);2-13,22,24H,14-21H2,1H3,(H,33,37);1-10,19,22H,11-18,20H2,(H,33,37)
InChIKeyBUFKSHCAIXIINB-UHFFFAOYSA-N
XLogP15.16
TPSA204.10 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds26
Heavy Atoms116
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001628.25
LogP ≤ 515.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Analyze N-[1-(4-chlorophenyl)propan-2-yl]-2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]benzamide;N-[2-(3,4-dichlorophenyl)ethyl]-2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]benzamide;N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)propan-2-yl]-2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]benzamide;N-[2-(3,4-dichlorophenyl)ethyl]-2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]benzamide;N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]benzamide?
The IUPAC name of N-[1-(4-chlorophenyl)propan-2-yl]-2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]benzamide;N-[2-(3,4-dichlorophenyl)ethyl]-2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]benzamide;N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]benzamide (CID 157463665) is N-[1-(4-chlorophenyl)propan-2-yl]-2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]benzamide;N-[2-(3,4-dichlorophenyl)ethyl]-2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]benzamide;N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]benzamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)propan-2-yl]-2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]benzamide;N-[2-(3,4-dichlorophenyl)ethyl]-2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]benzamide;N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]benzamide?
The canonical SMILES for N-[1-(4-chlorophenyl)propan-2-yl]-2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]benzamide;N-[2-(3,4-dichlorophenyl)ethyl]-2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]benzamide;N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]benzamide is CC(Cc1ccc(Cl)cc1)NC(=O)c1ccccc1C1CCN(CCN2C(=O)COc3ccccc32)CC1.COc1ccc(CCNC(=O)c2ccccc2C2CCN(CCN3C(=O)COc4ccccc43)CC2)cc1OC.O=C(NCCc1ccc(Cl)c(Cl)c1)c1ccccc1C1CCN(CCN2C(=O)COc3ccccc32)CC1.
What is the InChIKey of N-[1-(4-chlorophenyl)propan-2-yl]-2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]benzamide;N-[2-(3,4-dichlorophenyl)ethyl]-2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]benzamide;N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]benzamide?
The InChIKey is BUFKSHCAIXIINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N3O5.C31H34ClN3O3.C30H31Cl2N3O3/c1-38-29-12-11-23(21-30(29)39-2)13-16-33-32(37)26-8-4-3-7-25(26)24-14-17-34(18-15-24)19-20-35-27-9-5-6-10-28(27)40-22-31(35)36;1-22(20-23-10-12-25(32)13-11-23)33-31(37)27-7-3-2-6-26(27)24-14-16-34(17-15-24)18-19-35-28-8-4-5-9-29(28)38-21-30(35)36;31-25-10-9-21(19-26(25)32)11-14-33-30(37)24-6-2-1-5-23(24)22-12-15-34(16-13-22)17-18-35-27-7-3-4-8-28(27)38-20-29(35)36/h3-12,21,24H,13-20,22H2,1-2H3,(H,33,37);2-13,22,24H,14-21H2,1H3,(H,33,37);1-10,19,22H,11-18,20H2,(H,33,37).
What are the key properties of N-[1-(4-chlorophenyl)propan-2-yl]-2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]benzamide;N-[2-(3,4-dichlorophenyl)ethyl]-2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]benzamide;N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]benzamide?
N-[1-(4-chlorophenyl)propan-2-yl]-2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]benzamide;N-[2-(3,4-dichlorophenyl)ethyl]-2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]benzamide;N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]benzamide has a molecular weight of 1628.25 g/mol, XLogP of 15.16, 26 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)propan-2-yl]-2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]benzamide;N-[2-(3,4-dichlorophenyl)ethyl]-2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]benzamide;N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 157463665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).