4-[(1S)-1-benzamido-2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-N-tert-butylpiperidine-1-carboxamide

C25H38N4O3 — CID 93200024

IUPAC4-[(1S)-1-benzamido-2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-N-tert-butylpiperidine-1-carboxamide
SMILESC[C@@H]1CCCCN1C(=O)[C@@H](NC(=O)c1ccccc1)C1CCN(C(=O)NC(C)(C)C)CC1
InChIInChI=1S/C25H38N4O3/c1-18-10-8-9-15-29(18)23(31)21(26-22(30)20-11-6-5-7-12-20)19-13-16-28(17-14-19)24(32)27-25(2,3)4/h5-7,11-12,18-19,21H,8-10,13-17H2,1-4H3,(H,26,30)(H,27,32)/t18-,21+/m1/s1
InChIKeyFJXIPSMCRRQGJY-NQIIRXRSSA-N
MW442.60 g/mol
LogP3.41
Rot. Bonds4

About 4-[(1S)-1-benzamido-2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-N-tert-butylpiperidine-1-carboxamide

4-[(1S)-1-benzamido-2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-N-tert-butylpiperidine-1-carboxamide (PubChem CID 93200024) has the molecular formula C25H38N4O3 and a molecular weight of 442.60 g/mol. Its IUPAC name is 4-[(1S)-1-benzamido-2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-N-tert-butylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(1S)-1-benzamido-2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-N-tert-butylpiperidine-1-carboxamide
PubChem CID93200024
Molecular FormulaC25H38N4O3
Molecular Weight442.60 g/mol
Exact Mass442.29
IUPAC Name4-[(1S)-1-benzamido-2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-N-tert-butylpiperidine-1-carboxamide
SMILESC[C@@H]1CCCCN1C(=O)[C@@H](NC(=O)c1ccccc1)C1CCN(C(=O)NC(C)(C)C)CC1
InChIInChI=1S/C25H38N4O3/c1-18-10-8-9-15-29(18)23(31)21(26-22(30)20-11-6-5-7-12-20)19-13-16-28(17-14-19)24(32)27-25(2,3)4/h5-7,11-12,18-19,21H,8-10,13-17H2,1-4H3,(H,26,30)(H,27,32)/t18-,21+/m1/s1
InChIKeyFJXIPSMCRRQGJY-NQIIRXRSSA-N
XLogP3.41
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.60
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(1S)-1-benzamido-2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-N-tert-butylpiperidine-1-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

4-[1-benzamido-2-(2-methylpiperidin-1-yl)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 46020588
4-[(1R)-1-benzamido-2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 93200031
4-[(1S)-1-[(4-methylbenzoyl)amino]-2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 93200092
N-[2-(2-methylpiperidin-1-yl)-2-oxo-1-piperidin-4-ylethyl]benzamide
CID 24714954
4-[(1R)-1-benzamido-2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]-N-tert-butylpiperidine-1-carboxamide
CID 93200065
4-[(1S)-1-benzamido-2-(benzylamino)-2-oxoethyl]-N-tert-butylpiperidine-1-carboxamide
CID 93200042
N-(3-chlorophenyl)-4-[(1S)-1-[(4-methylbenzoyl)amino]-2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidine-1-carboxamide
CID 93200094
N-(3-chlorophenyl)-4-[(1R)-1-[(4-methylbenzoyl)amino]-2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidine-1-carboxamide
CID 93200095
N-[1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide
CID 46020237
N-[(1R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide
CID 93199235
N-[1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide
CID 46020232
N-[(1S)-1-(1-benzoylpiperidin-4-yl)-2-oxo-2-piperidin-1-ylethyl]benzamide
CID 93199232

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-benzamido-2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-N-tert-butylpiperidine-1-carboxamide?
The IUPAC name of 4-[(1S)-1-benzamido-2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-N-tert-butylpiperidine-1-carboxamide (CID 93200024) is 4-[(1S)-1-benzamido-2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-N-tert-butylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[(1S)-1-benzamido-2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-N-tert-butylpiperidine-1-carboxamide?
The canonical SMILES for 4-[(1S)-1-benzamido-2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-N-tert-butylpiperidine-1-carboxamide is C[C@@H]1CCCCN1C(=O)[C@@H](NC(=O)c1ccccc1)C1CCN(C(=O)NC(C)(C)C)CC1.
What is the InChIKey of 4-[(1S)-1-benzamido-2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-N-tert-butylpiperidine-1-carboxamide?
The InChIKey is FJXIPSMCRRQGJY-NQIIRXRSSA-N. The full InChI is InChI=1S/C25H38N4O3/c1-18-10-8-9-15-29(18)23(31)21(26-22(30)20-11-6-5-7-12-20)19-13-16-28(17-14-19)24(32)27-25(2,3)4/h5-7,11-12,18-19,21H,8-10,13-17H2,1-4H3,(H,26,30)(H,27,32)/t18-,21+/m1/s1.
What are the key properties of 4-[(1S)-1-benzamido-2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-N-tert-butylpiperidine-1-carboxamide?
4-[(1S)-1-benzamido-2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-N-tert-butylpiperidine-1-carboxamide has a molecular weight of 442.60 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-benzamido-2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-N-tert-butylpiperidine-1-carboxamide is sourced from PubChem (CID 93200024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).