(2S)-1-(1-benzyl-4-methylpiperidine-4-carbonyl)-N-methyl-4-(2-phenylethyl)piperazine-2-carboxamide

C28H38N4O2 — CID 124979390

IUPAC(2S)-1-(1-benzyl-4-methylpiperidine-4-carbonyl)-N-methyl-4-(2-phenylethyl)piperazine-2-carboxamide
SMILESCNC(=O)[C@@H]1CN(CCc2ccccc2)CCN1C(=O)C1(C)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C28H38N4O2/c1-28(14-17-31(18-15-28)21-24-11-7-4-8-12-24)27(34)32-20-19-30(22-25(32)26(33)29-2)16-13-23-9-5-3-6-10-23/h3-12,25H,13-22H2,1-2H3,(H,29,33)/t25-/m0/s1
InChIKeyMAYZRQNBFKYISU-VWLOTQADSA-N
MW462.64 g/mol
LogP2.79
Rot. Bonds7

About (2S)-1-(1-benzyl-4-methylpiperidine-4-carbonyl)-N-methyl-4-(2-phenylethyl)piperazine-2-carboxamide

(2S)-1-(1-benzyl-4-methylpiperidine-4-carbonyl)-N-methyl-4-(2-phenylethyl)piperazine-2-carboxamide (PubChem CID 124979390) has the molecular formula C28H38N4O2 and a molecular weight of 462.64 g/mol. Its IUPAC name is (2S)-1-(1-benzyl-4-methylpiperidine-4-carbonyl)-N-methyl-4-(2-phenylethyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(1-benzyl-4-methylpiperidine-4-carbonyl)-N-methyl-4-(2-phenylethyl)piperazine-2-carboxamide
PubChem CID124979390
Molecular FormulaC28H38N4O2
Molecular Weight462.64 g/mol
Exact Mass462.30
IUPAC Name(2S)-1-(1-benzyl-4-methylpiperidine-4-carbonyl)-N-methyl-4-(2-phenylethyl)piperazine-2-carboxamide
SMILESCNC(=O)[C@@H]1CN(CCc2ccccc2)CCN1C(=O)C1(C)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C28H38N4O2/c1-28(14-17-31(18-15-28)21-24-11-7-4-8-12-24)27(34)32-20-19-30(22-25(32)26(33)29-2)16-13-23-9-5-3-6-10-23/h3-12,25H,13-22H2,1-2H3,(H,29,33)/t25-/m0/s1
InChIKeyMAYZRQNBFKYISU-VWLOTQADSA-N
XLogP2.79
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.64
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-1-(1-benzyl-4-methylpiperidine-4-carbonyl)-N-methyl-4-(2-phenylethyl)piperazine-2-carboxamide 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-acetyl-N-methyl-4-(2-phenylethyl)piperazine-2-carboxamide
CID 110086145
(2S)-4-benzyl-N-methyl-1-(2-methylpropanoyl)piperazine-2-carboxamide
CID 125020372
N-methyl-1-(1-methyl-6-oxopyridine-3-carbonyl)-4-(2-phenylethyl)piperazine-2-carboxamide
CID 175657649
N-methyl-1-[3-(5-methylpyrazol-1-yl)propanoyl]-4-(2-phenylethyl)piperazine-2-carboxamide
CID 175659103
N-methyl-1-[2-(2-oxopyrrolidin-1-yl)acetyl]-4-(2-phenylethyl)piperazine-2-carboxamide
CID 175658408
4-benzyl-1-[4-(4-methoxyphenyl)oxane-4-carbonyl]-N-methylpiperazine-2-carboxamide
CID 132779506
4-benzyl-N-methyl-1-(pyridine-2-carbonyl)piperazine-2-carboxamide
CID 110086108
(2S)-N-methyl-4-(2-phenylethyl)piperazine-2-carboxamide
CID 95804018
(2S)-4-benzyl-N-methyl-1-pyrimidin-2-ylpiperazine-2-carboxamide
CID 95826161
(1-benzyl-4-methylpiperidin-4-yl)-[(3S,4S)-3-hydroxy-4-methylpiperidin-1-yl]methanone
CID 99718329
4-benzyl-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-methylpiperazine-2-carboxamide
CID 175657840
(2R)-1-(2-methylpropanoyl)-4-(2-phenylethyl)piperazine-2-carboxamide
CID 124962044

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(1-benzyl-4-methylpiperidine-4-carbonyl)-N-methyl-4-(2-phenylethyl)piperazine-2-carboxamide?
The IUPAC name of (2S)-1-(1-benzyl-4-methylpiperidine-4-carbonyl)-N-methyl-4-(2-phenylethyl)piperazine-2-carboxamide (CID 124979390) is (2S)-1-(1-benzyl-4-methylpiperidine-4-carbonyl)-N-methyl-4-(2-phenylethyl)piperazine-2-carboxamide.
What is the SMILES notation for (2S)-1-(1-benzyl-4-methylpiperidine-4-carbonyl)-N-methyl-4-(2-phenylethyl)piperazine-2-carboxamide?
The canonical SMILES for (2S)-1-(1-benzyl-4-methylpiperidine-4-carbonyl)-N-methyl-4-(2-phenylethyl)piperazine-2-carboxamide is CNC(=O)[C@@H]1CN(CCc2ccccc2)CCN1C(=O)C1(C)CCN(Cc2ccccc2)CC1.
What is the InChIKey of (2S)-1-(1-benzyl-4-methylpiperidine-4-carbonyl)-N-methyl-4-(2-phenylethyl)piperazine-2-carboxamide?
The InChIKey is MAYZRQNBFKYISU-VWLOTQADSA-N. The full InChI is InChI=1S/C28H38N4O2/c1-28(14-17-31(18-15-28)21-24-11-7-4-8-12-24)27(34)32-20-19-30(22-25(32)26(33)29-2)16-13-23-9-5-3-6-10-23/h3-12,25H,13-22H2,1-2H3,(H,29,33)/t25-/m0/s1.
What are the key properties of (2S)-1-(1-benzyl-4-methylpiperidine-4-carbonyl)-N-methyl-4-(2-phenylethyl)piperazine-2-carboxamide?
(2S)-1-(1-benzyl-4-methylpiperidine-4-carbonyl)-N-methyl-4-(2-phenylethyl)piperazine-2-carboxamide has a molecular weight of 462.64 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(1-benzyl-4-methylpiperidine-4-carbonyl)-N-methyl-4-(2-phenylethyl)piperazine-2-carboxamide is sourced from PubChem (CID 124979390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).