N-[3-[4-[1-butyl-4-[[(3,5-dichlorophenyl)carbamoylamino]methyl]piperidin-4-yl]phenyl]phenyl]acetamide

C31H36Cl2N4O2 — CID 70906778

IUPACN-[3-[4-[1-butyl-4-[[(3,5-dichlorophenyl)carbamoylamino]methyl]piperidin-4-yl]phenyl]phenyl]acetamide
SMILESCCCCN1CCC(CNC(=O)Nc2cc(Cl)cc(Cl)c2)(c2ccc(-c3cccc(NC(C)=O)c3)cc2)CC1
InChIInChI=1S/C31H36Cl2N4O2/c1-3-4-14-37-15-12-31(13-16-37,21-34-30(39)36-29-19-26(32)18-27(33)20-29)25-10-8-23(9-11-25)24-6-5-7-28(17-24)35-22(2)38/h5-11,17-20H,3-4,12-16,21H2,1-2H3,(H,35,38)(H2,34,36,39)
InChIKeyMAPDZCRNJLZAFK-UHFFFAOYSA-N
MW567.56 g/mol
LogP7.57
Rot. Bonds9

About N-[3-[4-[1-butyl-4-[[(3,5-dichlorophenyl)carbamoylamino]methyl]piperidin-4-yl]phenyl]phenyl]acetamide

N-[3-[4-[1-butyl-4-[[(3,5-dichlorophenyl)carbamoylamino]methyl]piperidin-4-yl]phenyl]phenyl]acetamide (PubChem CID 70906778) has the molecular formula C31H36Cl2N4O2 and a molecular weight of 567.56 g/mol. Its IUPAC name is N-[3-[4-[1-butyl-4-[[(3,5-dichlorophenyl)carbamoylamino]methyl]piperidin-4-yl]phenyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[4-[1-butyl-4-[[(3,5-dichlorophenyl)carbamoylamino]methyl]piperidin-4-yl]phenyl]phenyl]acetamide
PubChem CID70906778
Molecular FormulaC31H36Cl2N4O2
Molecular Weight567.56 g/mol
Exact Mass566.22
IUPAC NameN-[3-[4-[1-butyl-4-[[(3,5-dichlorophenyl)carbamoylamino]methyl]piperidin-4-yl]phenyl]phenyl]acetamide
SMILESCCCCN1CCC(CNC(=O)Nc2cc(Cl)cc(Cl)c2)(c2ccc(-c3cccc(NC(C)=O)c3)cc2)CC1
InChIInChI=1S/C31H36Cl2N4O2/c1-3-4-14-37-15-12-31(13-16-37,21-34-30(39)36-29-19-26(32)18-27(33)20-29)25-10-8-23(9-11-25)24-6-5-7-28(17-24)35-22(2)38/h5-11,17-20H,3-4,12-16,21H2,1-2H3,(H,35,38)(H2,34,36,39)
InChIKeyMAPDZCRNJLZAFK-UHFFFAOYSA-N
XLogP7.57
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.56
LogP ≤ 57.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[3-[4-[1-butyl-4-[[(3,5-dichlorophenyl)carbamoylamino]methyl]piperidin-4-yl]phenyl]phenyl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

1-[[4-[4-(3-chlorophenyl)phenyl]-1-propylpiperidin-4-yl]methyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
CID 20779411
1-[[4-[4-(3-chlorophenyl)phenyl]-1-propylpiperidin-4-yl]methyl]-3-[4-chloro-2-(trifluoromethyl)phenyl]urea
CID 20779410
1-[[4-[4-(3-cyanophenyl)phenyl]piperidin-4-yl]methyl]-3-(3,5-dichlorophenyl)urea
CID 70906882
1-(3,5-dichlorophenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
CID 113214739
1-[[4-[4-(3-chlorophenyl)phenyl]-1-methylpiperidin-4-yl]methyl]-3-[2-chloro-5-(trifluoromethyl)phenyl]urea
CID 20779407
1-[[4-[4-(3-chlorophenyl)phenyl]-1-ethylpiperidin-4-yl]methyl]-3-(3,5-dichloro-1-methylcyclohexa-2,4-dien-1-yl)urea
CID 142179782
1-(3,4-difluorophenyl)-3-[[1-methyl-4-(4-pyridin-3-ylphenyl)piperidin-4-yl]methyl]urea
CID 20779423
N-[3-[3-fluoro-4-(4-piperidin-1-ylbutylcarbamoylamino)phenyl]phenyl]acetamide
CID 143531645
N-(3-chlorophenyl)-4-pentylpiperazine-1-carboxamide
CID 17184978
1-(3-chlorophenyl)-3-undecylurea
CID 4294975
1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-(3-cyanophenyl)urea
CID 113214561
N-(3-acetamidophenyl)-N'-(3,5-dichlorophenyl)propanediamide
CID 108956248

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[1-butyl-4-[[(3,5-dichlorophenyl)carbamoylamino]methyl]piperidin-4-yl]phenyl]phenyl]acetamide?
The IUPAC name of N-[3-[4-[1-butyl-4-[[(3,5-dichlorophenyl)carbamoylamino]methyl]piperidin-4-yl]phenyl]phenyl]acetamide (CID 70906778) is N-[3-[4-[1-butyl-4-[[(3,5-dichlorophenyl)carbamoylamino]methyl]piperidin-4-yl]phenyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[4-[1-butyl-4-[[(3,5-dichlorophenyl)carbamoylamino]methyl]piperidin-4-yl]phenyl]phenyl]acetamide?
The canonical SMILES for N-[3-[4-[1-butyl-4-[[(3,5-dichlorophenyl)carbamoylamino]methyl]piperidin-4-yl]phenyl]phenyl]acetamide is CCCCN1CCC(CNC(=O)Nc2cc(Cl)cc(Cl)c2)(c2ccc(-c3cccc(NC(C)=O)c3)cc2)CC1.
What is the InChIKey of N-[3-[4-[1-butyl-4-[[(3,5-dichlorophenyl)carbamoylamino]methyl]piperidin-4-yl]phenyl]phenyl]acetamide?
The InChIKey is MAPDZCRNJLZAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36Cl2N4O2/c1-3-4-14-37-15-12-31(13-16-37,21-34-30(39)36-29-19-26(32)18-27(33)20-29)25-10-8-23(9-11-25)24-6-5-7-28(17-24)35-22(2)38/h5-11,17-20H,3-4,12-16,21H2,1-2H3,(H,35,38)(H2,34,36,39).
What are the key properties of N-[3-[4-[1-butyl-4-[[(3,5-dichlorophenyl)carbamoylamino]methyl]piperidin-4-yl]phenyl]phenyl]acetamide?
N-[3-[4-[1-butyl-4-[[(3,5-dichlorophenyl)carbamoylamino]methyl]piperidin-4-yl]phenyl]phenyl]acetamide has a molecular weight of 567.56 g/mol, XLogP of 7.57, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[1-butyl-4-[[(3,5-dichlorophenyl)carbamoylamino]methyl]piperidin-4-yl]phenyl]phenyl]acetamide is sourced from PubChem (CID 70906778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).