(3R)-3-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-1-N-phenylpiperidine-1,3-dicarboxamide

C27H28N4O4 — CID 41036902

IUPAC(3R)-3-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-1-N-phenylpiperidine-1,3-dicarboxamide
SMILESCOc1ccc(NC(=O)c2ccc(NC(=O)[C@@H]3CCCN(C(=O)Nc4ccccc4)C3)cc2)cc1
InChIInChI=1S/C27H28N4O4/c1-35-24-15-13-23(14-16-24)28-25(32)19-9-11-22(12-10-19)29-26(33)20-6-5-17-31(18-20)27(34)30-21-7-3-2-4-8-21/h2-4,7-16,20H,5-6,17-18H2,1H3,(H,28,32)(H,29,33)(H,30,34)/t20-/m1/s1
InChIKeyDDDNNHWWXCVTQK-HXUWFJFHSA-N
MW472.55 g/mol
LogP4.83
Rot. Bonds6

About (3R)-3-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-1-N-phenylpiperidine-1,3-dicarboxamide

(3R)-3-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-1-N-phenylpiperidine-1,3-dicarboxamide (PubChem CID 41036902) has the molecular formula C27H28N4O4 and a molecular weight of 472.55 g/mol. Its IUPAC name is (3R)-3-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-1-N-phenylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3R)-3-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-1-N-phenylpiperidine-1,3-dicarboxamide
PubChem CID41036902
Molecular FormulaC27H28N4O4
Molecular Weight472.55 g/mol
Exact Mass472.21
IUPAC Name(3R)-3-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-1-N-phenylpiperidine-1,3-dicarboxamide
SMILESCOc1ccc(NC(=O)c2ccc(NC(=O)[C@@H]3CCCN(C(=O)Nc4ccccc4)C3)cc2)cc1
InChIInChI=1S/C27H28N4O4/c1-35-24-15-13-23(14-16-24)28-25(32)19-9-11-22(12-10-19)29-26(33)20-6-5-17-31(18-20)27(34)30-21-7-3-2-4-8-21/h2-4,7-16,20H,5-6,17-18H2,1H3,(H,28,32)(H,29,33)(H,30,34)/t20-/m1/s1
InChIKeyDDDNNHWWXCVTQK-HXUWFJFHSA-N
XLogP4.83
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.55
LogP ≤ 54.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (3R)-3-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-1-N-phenylpiperidine-1,3-dicarboxamide 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

(3S)-3-N-[4-(methylcarbamoyl)phenyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9091528
3-(4-methoxybenzoyl)-N-phenylpiperidine-1-carboxamide
CID 110394709
3-N-[4-(cyclopropylcarbamoyl)phenyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 55489108
propan-2-yl 4-[[1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]benzoate
CID 24503608
(3S)-3-N-(4-ethoxyphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 7435320
(3S)-3-N-(4-methylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9071786
4-(cyclopentanecarbonylamino)-N-(4-methoxyphenyl)benzamide
CID 2677112
N-(4-methoxyphenyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55623806
(3S)-3-N-(4-fluorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9070375
(3R)-1-(benzamidocarbamoyl)-N-phenylpiperidine-3-carboxamide
CID 51928183
(3R)-3-N-(4-chlorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9073266
(3S)-3-N-(3-chloro-4-methoxyphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 26586333

Frequently Asked Questions

What is the IUPAC name of (3R)-3-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-1-N-phenylpiperidine-1,3-dicarboxamide?
The IUPAC name of (3R)-3-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-1-N-phenylpiperidine-1,3-dicarboxamide (CID 41036902) is (3R)-3-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-1-N-phenylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for (3R)-3-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-1-N-phenylpiperidine-1,3-dicarboxamide?
The canonical SMILES for (3R)-3-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-1-N-phenylpiperidine-1,3-dicarboxamide is COc1ccc(NC(=O)c2ccc(NC(=O)[C@@H]3CCCN(C(=O)Nc4ccccc4)C3)cc2)cc1.
What is the InChIKey of (3R)-3-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-1-N-phenylpiperidine-1,3-dicarboxamide?
The InChIKey is DDDNNHWWXCVTQK-HXUWFJFHSA-N. The full InChI is InChI=1S/C27H28N4O4/c1-35-24-15-13-23(14-16-24)28-25(32)19-9-11-22(12-10-19)29-26(33)20-6-5-17-31(18-20)27(34)30-21-7-3-2-4-8-21/h2-4,7-16,20H,5-6,17-18H2,1H3,(H,28,32)(H,29,33)(H,30,34)/t20-/m1/s1.
What are the key properties of (3R)-3-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-1-N-phenylpiperidine-1,3-dicarboxamide?
(3R)-3-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-1-N-phenylpiperidine-1,3-dicarboxamide has a molecular weight of 472.55 g/mol, XLogP of 4.83, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-1-N-phenylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 41036902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).