4-(1-benzamido-2-oxo-2-piperidin-1-ylethyl)-N-(3-chlorophenyl)piperidine-1-carboxamide

C26H31ClN4O3 — CID 46020584

IUPAC4-(1-benzamido-2-oxo-2-piperidin-1-ylethyl)-N-(3-chlorophenyl)piperidine-1-carboxamide
SMILESO=C(NC(C(=O)N1CCCCC1)C1CCN(C(=O)Nc2cccc(Cl)c2)CC1)c1ccccc1
InChIInChI=1S/C26H31ClN4O3/c27-21-10-7-11-22(18-21)28-26(34)31-16-12-19(13-17-31)23(25(33)30-14-5-2-6-15-30)29-24(32)20-8-3-1-4-9-20/h1,3-4,7-11,18-19,23H,2,5-6,12-17H2,(H,28,34)(H,29,32)
InChIKeyTUWRECKEHYSEGE-UHFFFAOYSA-N
MW483.01 g/mol
LogP4.39
Rot. Bonds5

About 4-(1-benzamido-2-oxo-2-piperidin-1-ylethyl)-N-(3-chlorophenyl)piperidine-1-carboxamide

4-(1-benzamido-2-oxo-2-piperidin-1-ylethyl)-N-(3-chlorophenyl)piperidine-1-carboxamide (PubChem CID 46020584) has the molecular formula C26H31ClN4O3 and a molecular weight of 483.01 g/mol. Its IUPAC name is 4-(1-benzamido-2-oxo-2-piperidin-1-ylethyl)-N-(3-chlorophenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(1-benzamido-2-oxo-2-piperidin-1-ylethyl)-N-(3-chlorophenyl)piperidine-1-carboxamide
PubChem CID46020584
Molecular FormulaC26H31ClN4O3
Molecular Weight483.01 g/mol
Exact Mass482.21
IUPAC Name4-(1-benzamido-2-oxo-2-piperidin-1-ylethyl)-N-(3-chlorophenyl)piperidine-1-carboxamide
SMILESO=C(NC(C(=O)N1CCCCC1)C1CCN(C(=O)Nc2cccc(Cl)c2)CC1)c1ccccc1
InChIInChI=1S/C26H31ClN4O3/c27-21-10-7-11-22(18-21)28-26(34)31-16-12-19(13-17-31)23(25(33)30-14-5-2-6-15-30)29-24(32)20-8-3-1-4-9-20/h1,3-4,7-11,18-19,23H,2,5-6,12-17H2,(H,28,34)(H,29,32)
InChIKeyTUWRECKEHYSEGE-UHFFFAOYSA-N
XLogP4.39
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.01
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)-4-[(1R)-1-[(4-methylbenzoyl)amino]-2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidine-1-carboxamide
CID 93200095
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-[(1S)-1-[(4-methoxybenzoyl)amino]-2-oxo-2-(propan-2-ylamino)ethyl]piperidine-1-carboxamide
CID 93200267
N-[(1S)-1-(1-benzoylpiperidin-4-yl)-2-oxo-2-piperidin-1-ylethyl]benzamide
CID 93199232
3-benzoyl-N-(3-chlorophenyl)piperidine-1-carboxamide
CID 110394499
N-[1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide
CID 46020237
N-[1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide
CID 46020232
N-[(1R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide
CID 93199235
N-(3-chlorophenyl)-4-propan-2-ylpiperidine-1-carboxamide
CID 59001093
N-(3-chlorophenyl)-4-(1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide
CID 46027273
N-(3-chlorophenyl)-4-[(1R)-2-(diethylamino)-1-[(3-methoxybenzoyl)amino]-2-oxoethyl]piperidine-1-carboxamide
CID 93200310
4-(azepan-1-yl)-N-(3-chlorophenyl)piperidine-1-carboxamide
CID 110667169

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzamido-2-oxo-2-piperidin-1-ylethyl)-N-(3-chlorophenyl)piperidine-1-carboxamide?
The IUPAC name of 4-(1-benzamido-2-oxo-2-piperidin-1-ylethyl)-N-(3-chlorophenyl)piperidine-1-carboxamide (CID 46020584) is 4-(1-benzamido-2-oxo-2-piperidin-1-ylethyl)-N-(3-chlorophenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(1-benzamido-2-oxo-2-piperidin-1-ylethyl)-N-(3-chlorophenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(1-benzamido-2-oxo-2-piperidin-1-ylethyl)-N-(3-chlorophenyl)piperidine-1-carboxamide is O=C(NC(C(=O)N1CCCCC1)C1CCN(C(=O)Nc2cccc(Cl)c2)CC1)c1ccccc1.
What is the InChIKey of 4-(1-benzamido-2-oxo-2-piperidin-1-ylethyl)-N-(3-chlorophenyl)piperidine-1-carboxamide?
The InChIKey is TUWRECKEHYSEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31ClN4O3/c27-21-10-7-11-22(18-21)28-26(34)31-16-12-19(13-17-31)23(25(33)30-14-5-2-6-15-30)29-24(32)20-8-3-1-4-9-20/h1,3-4,7-11,18-19,23H,2,5-6,12-17H2,(H,28,34)(H,29,32).
What are the key properties of 4-(1-benzamido-2-oxo-2-piperidin-1-ylethyl)-N-(3-chlorophenyl)piperidine-1-carboxamide?
4-(1-benzamido-2-oxo-2-piperidin-1-ylethyl)-N-(3-chlorophenyl)piperidine-1-carboxamide has a molecular weight of 483.01 g/mol, XLogP of 4.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzamido-2-oxo-2-piperidin-1-ylethyl)-N-(3-chlorophenyl)piperidine-1-carboxamide is sourced from PubChem (CID 46020584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).