1-[3,5-bis(trifluoromethyl)benzoyl]-4-[[4-(4-methoxyphenyl)benzoyl]amino]piperidine-4-carboxamide

C29H25F6N3O4 — CID 177072958

IUPAC1-[3,5-bis(trifluoromethyl)benzoyl]-4-[[4-(4-methoxyphenyl)benzoyl]amino]piperidine-4-carboxamide
SMILESCOc1ccc(-c2ccc(C(=O)NC3(C(N)=O)CCN(C(=O)c4cc(C(F)(F)F)cc(C(F)(F)F)c4)CC3)cc2)cc1
InChIInChI=1S/C29H25F6N3O4/c1-42-23-8-6-18(7-9-23)17-2-4-19(5-3-17)24(39)37-27(26(36)41)10-12-38(13-11-27)25(40)20-14-21(28(30,31)32)16-22(15-20)29(33,34)35/h2-9,14-16H,10-13H2,1H3,(H2,36,41)(H,37,39)
InChIKeyKDOADALITDBZMM-UHFFFAOYSA-N
MW593.52 g/mol
LogP5.29
Rot. Bonds6

About 1-[3,5-bis(trifluoromethyl)benzoyl]-4-[[4-(4-methoxyphenyl)benzoyl]amino]piperidine-4-carboxamide

1-[3,5-bis(trifluoromethyl)benzoyl]-4-[[4-(4-methoxyphenyl)benzoyl]amino]piperidine-4-carboxamide (PubChem CID 177072958) has the molecular formula C29H25F6N3O4 and a molecular weight of 593.52 g/mol. Its IUPAC name is 1-[3,5-bis(trifluoromethyl)benzoyl]-4-[[4-(4-methoxyphenyl)benzoyl]amino]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3,5-bis(trifluoromethyl)benzoyl]-4-[[4-(4-methoxyphenyl)benzoyl]amino]piperidine-4-carboxamide
PubChem CID177072958
Molecular FormulaC29H25F6N3O4
Molecular Weight593.52 g/mol
Exact Mass593.17
IUPAC Name1-[3,5-bis(trifluoromethyl)benzoyl]-4-[[4-(4-methoxyphenyl)benzoyl]amino]piperidine-4-carboxamide
SMILESCOc1ccc(-c2ccc(C(=O)NC3(C(N)=O)CCN(C(=O)c4cc(C(F)(F)F)cc(C(F)(F)F)c4)CC3)cc2)cc1
InChIInChI=1S/C29H25F6N3O4/c1-42-23-8-6-18(7-9-23)17-2-4-19(5-3-17)24(39)37-27(26(36)41)10-12-38(13-11-27)25(40)20-14-21(28(30,31)32)16-22(15-20)29(33,34)35/h2-9,14-16H,10-13H2,1H3,(H2,36,41)(H,37,39)
InChIKeyKDOADALITDBZMM-UHFFFAOYSA-N
XLogP5.29
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.52
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[3,5-bis(trifluoromethyl)benzoyl]-4-[[4-(4-methoxyphenyl)benzoyl]amino]piperidine-4-carboxamide 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 1-[3,5-bis(trifluoromethyl)benzoyl]-4-[[4-(4-methoxyphenyl)benzoyl]amino]piperidine-4-carboxamide?
The IUPAC name of 1-[3,5-bis(trifluoromethyl)benzoyl]-4-[[4-(4-methoxyphenyl)benzoyl]amino]piperidine-4-carboxamide (CID 177072958) is 1-[3,5-bis(trifluoromethyl)benzoyl]-4-[[4-(4-methoxyphenyl)benzoyl]amino]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3,5-bis(trifluoromethyl)benzoyl]-4-[[4-(4-methoxyphenyl)benzoyl]amino]piperidine-4-carboxamide?
The canonical SMILES for 1-[3,5-bis(trifluoromethyl)benzoyl]-4-[[4-(4-methoxyphenyl)benzoyl]amino]piperidine-4-carboxamide is COc1ccc(-c2ccc(C(=O)NC3(C(N)=O)CCN(C(=O)c4cc(C(F)(F)F)cc(C(F)(F)F)c4)CC3)cc2)cc1.
What is the InChIKey of 1-[3,5-bis(trifluoromethyl)benzoyl]-4-[[4-(4-methoxyphenyl)benzoyl]amino]piperidine-4-carboxamide?
The InChIKey is KDOADALITDBZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25F6N3O4/c1-42-23-8-6-18(7-9-23)17-2-4-19(5-3-17)24(39)37-27(26(36)41)10-12-38(13-11-27)25(40)20-14-21(28(30,31)32)16-22(15-20)29(33,34)35/h2-9,14-16H,10-13H2,1H3,(H2,36,41)(H,37,39).
What are the key properties of 1-[3,5-bis(trifluoromethyl)benzoyl]-4-[[4-(4-methoxyphenyl)benzoyl]amino]piperidine-4-carboxamide?
1-[3,5-bis(trifluoromethyl)benzoyl]-4-[[4-(4-methoxyphenyl)benzoyl]amino]piperidine-4-carboxamide has a molecular weight of 593.52 g/mol, XLogP of 5.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-bis(trifluoromethyl)benzoyl]-4-[[4-(4-methoxyphenyl)benzoyl]amino]piperidine-4-carboxamide is sourced from PubChem (CID 177072958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).