4-[(1S)-1-[(2-chlorobenzoyl)amino]-2-oxo-2-piperidin-1-ylethyl]-N-ethylpiperidine-1-carboxamide

C22H31ClN4O3 — CID 93200202

IUPAC4-[(1S)-1-[(2-chlorobenzoyl)amino]-2-oxo-2-piperidin-1-ylethyl]-N-ethylpiperidine-1-carboxamide
SMILESCCNC(=O)N1CCC([C@H](NC(=O)c2ccccc2Cl)C(=O)N2CCCCC2)CC1
InChIInChI=1S/C22H31ClN4O3/c1-2-24-22(30)27-14-10-16(11-15-27)19(21(29)26-12-6-3-7-13-26)25-20(28)17-8-4-5-9-18(17)23/h4-5,8-9,16,19H,2-3,6-7,10-15H2,1H3,(H,24,30)(H,25,28)/t19-/m0/s1
InChIKeyYYOBURLJQISWGV-IBGZPJMESA-N
MW434.97 g/mol
LogP2.89
Rot. Bonds5

About 4-[(1S)-1-[(2-chlorobenzoyl)amino]-2-oxo-2-piperidin-1-ylethyl]-N-ethylpiperidine-1-carboxamide

4-[(1S)-1-[(2-chlorobenzoyl)amino]-2-oxo-2-piperidin-1-ylethyl]-N-ethylpiperidine-1-carboxamide (PubChem CID 93200202) has the molecular formula C22H31ClN4O3 and a molecular weight of 434.97 g/mol. Its IUPAC name is 4-[(1S)-1-[(2-chlorobenzoyl)amino]-2-oxo-2-piperidin-1-ylethyl]-N-ethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(1S)-1-[(2-chlorobenzoyl)amino]-2-oxo-2-piperidin-1-ylethyl]-N-ethylpiperidine-1-carboxamide
PubChem CID93200202
Molecular FormulaC22H31ClN4O3
Molecular Weight434.97 g/mol
Exact Mass434.21
IUPAC Name4-[(1S)-1-[(2-chlorobenzoyl)amino]-2-oxo-2-piperidin-1-ylethyl]-N-ethylpiperidine-1-carboxamide
SMILESCCNC(=O)N1CCC([C@H](NC(=O)c2ccccc2Cl)C(=O)N2CCCCC2)CC1
InChIInChI=1S/C22H31ClN4O3/c1-2-24-22(30)27-14-10-16(11-15-27)19(21(29)26-12-6-3-7-13-26)25-20(28)17-8-4-5-9-18(17)23/h4-5,8-9,16,19H,2-3,6-7,10-15H2,1H3,(H,24,30)(H,25,28)/t19-/m0/s1
InChIKeyYYOBURLJQISWGV-IBGZPJMESA-N
XLogP2.89
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.97
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(1S)-1-[(2-chlorobenzoyl)amino]-2-oxo-2-piperidin-1-ylethyl]-N-ethylpiperidine-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

4-[(1S)-2-[[(2S)-butan-2-yl]amino]-1-[(2-chlorobenzoyl)amino]-2-oxoethyl]-N-ethylpiperidine-1-carboxamide
CID 93200225
4-[1-[(2-chlorobenzoyl)amino]-2-(2-methylpropylamino)-2-oxoethyl]-N-ethylpiperidine-1-carboxamide
CID 46020650
2-chloro-N-[(1S)-1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide
CID 93197158
N-[(1R)-1-[1-(ethylcarbamothioyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]-2-methylbenzamide
CID 93200425
N-[1-(1-acetylpiperidin-4-yl)-2-oxo-2-piperidin-1-ylethyl]-2-methylbenzamide
CID 46019084
2-methyl-N-[1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide
CID 46019100
N-[(1R)-2-[[(2S)-butan-2-yl]amino]-1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxoethyl]-2-chlorobenzamide
CID 93197287
N-[(1S)-1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]-2-methylbenzamide
CID 93196523
2-methyl-N-[(1R)-1-[1-(3-methylbutanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide
CID 93196510
4-[(1S)-2-[[(2S)-butan-2-yl]amino]-1-[(2-methylbenzoyl)amino]-2-oxoethyl]-N-ethylpiperidine-1-carboxamide
CID 93200287
2-methyl-N-[(1S)-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]-2-piperidin-1-ylethyl]benzamide
CID 93196527
2-methyl-N-[2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]-2-piperidin-1-ylethyl]benzamide
CID 46019098

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-[(2-chlorobenzoyl)amino]-2-oxo-2-piperidin-1-ylethyl]-N-ethylpiperidine-1-carboxamide?
The IUPAC name of 4-[(1S)-1-[(2-chlorobenzoyl)amino]-2-oxo-2-piperidin-1-ylethyl]-N-ethylpiperidine-1-carboxamide (CID 93200202) is 4-[(1S)-1-[(2-chlorobenzoyl)amino]-2-oxo-2-piperidin-1-ylethyl]-N-ethylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[(1S)-1-[(2-chlorobenzoyl)amino]-2-oxo-2-piperidin-1-ylethyl]-N-ethylpiperidine-1-carboxamide?
The canonical SMILES for 4-[(1S)-1-[(2-chlorobenzoyl)amino]-2-oxo-2-piperidin-1-ylethyl]-N-ethylpiperidine-1-carboxamide is CCNC(=O)N1CCC([C@H](NC(=O)c2ccccc2Cl)C(=O)N2CCCCC2)CC1.
What is the InChIKey of 4-[(1S)-1-[(2-chlorobenzoyl)amino]-2-oxo-2-piperidin-1-ylethyl]-N-ethylpiperidine-1-carboxamide?
The InChIKey is YYOBURLJQISWGV-IBGZPJMESA-N. The full InChI is InChI=1S/C22H31ClN4O3/c1-2-24-22(30)27-14-10-16(11-15-27)19(21(29)26-12-6-3-7-13-26)25-20(28)17-8-4-5-9-18(17)23/h4-5,8-9,16,19H,2-3,6-7,10-15H2,1H3,(H,24,30)(H,25,28)/t19-/m0/s1.
What are the key properties of 4-[(1S)-1-[(2-chlorobenzoyl)amino]-2-oxo-2-piperidin-1-ylethyl]-N-ethylpiperidine-1-carboxamide?
4-[(1S)-1-[(2-chlorobenzoyl)amino]-2-oxo-2-piperidin-1-ylethyl]-N-ethylpiperidine-1-carboxamide has a molecular weight of 434.97 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-[(2-chlorobenzoyl)amino]-2-oxo-2-piperidin-1-ylethyl]-N-ethylpiperidine-1-carboxamide is sourced from PubChem (CID 93200202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).