1-[2-(4-chlorophenoxy)-2-methylpropanoyl]-N-pentan-2-ylpiperidine-3-carboxamide

C21H31ClN2O3 — CID 60607238

IUPAC1-[2-(4-chlorophenoxy)-2-methylpropanoyl]-N-pentan-2-ylpiperidine-3-carboxamide
SMILESCCCC(C)NC(=O)C1CCCN(C(=O)C(C)(C)Oc2ccc(Cl)cc2)C1
InChIInChI=1S/C21H31ClN2O3/c1-5-7-15(2)23-19(25)16-8-6-13-24(14-16)20(26)21(3,4)27-18-11-9-17(22)10-12-18/h9-12,15-16H,5-8,13-14H2,1-4H3,(H,23,25)
InChIKeyHLEDQSUBGQXSCD-UHFFFAOYSA-N
MW394.94 g/mol
LogP4.04
Rot. Bonds7

About 1-[2-(4-chlorophenoxy)-2-methylpropanoyl]-N-pentan-2-ylpiperidine-3-carboxamide

1-[2-(4-chlorophenoxy)-2-methylpropanoyl]-N-pentan-2-ylpiperidine-3-carboxamide (PubChem CID 60607238) has the molecular formula C21H31ClN2O3 and a molecular weight of 394.94 g/mol. Its IUPAC name is 1-[2-(4-chlorophenoxy)-2-methylpropanoyl]-N-pentan-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(4-chlorophenoxy)-2-methylpropanoyl]-N-pentan-2-ylpiperidine-3-carboxamide
PubChem CID60607238
Molecular FormulaC21H31ClN2O3
Molecular Weight394.94 g/mol
Exact Mass394.20
IUPAC Name1-[2-(4-chlorophenoxy)-2-methylpropanoyl]-N-pentan-2-ylpiperidine-3-carboxamide
SMILESCCCC(C)NC(=O)C1CCCN(C(=O)C(C)(C)Oc2ccc(Cl)cc2)C1
InChIInChI=1S/C21H31ClN2O3/c1-5-7-15(2)23-19(25)16-8-6-13-24(14-16)20(26)21(3,4)27-18-11-9-17(22)10-12-18/h9-12,15-16H,5-8,13-14H2,1-4H3,(H,23,25)
InChIKeyHLEDQSUBGQXSCD-UHFFFAOYSA-N
XLogP4.04
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.94
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-[2-(4-chlorophenoxy)-2-methylpropanoyl]piperidine-3-carboxylate
CID 108754829
1-(2-amino-2-phenylpropanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride
CID 120591036
(3R)-1-[(4-chlorophenyl)methyl]-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
CID 94008875
1-[2-(4-chlorophenoxy)-2-methylpropanoyl]pyrrolidine-3-carboxamide
CID 56813709
(3R)-1-(2,2-dimethylpropanoyl)-N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]piperidine-3-carboxamide
CID 52508214
1-(4-chlorobenzoyl)-N-(1-hydroxypropan-2-yl)piperidine-3-carboxamide
CID 78856900
(3S)-1-(2,6-difluorobenzoyl)-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
CID 94367549
2-(4-chlorophenoxy)-1-(4-hydroxy-3-methylpiperidin-1-yl)-2-methylpropan-1-one
CID 114680050
(3R)-1-(2-fluorobenzoyl)-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
CID 94367783
1-(3-aminopropanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride
CID 119311679
1-[2-(4-chlorophenoxy)-2-methylpropanoyl]piperidine-4-carboxamide
CID 754662
4-[[[3-(pentan-2-ylcarbamoyl)piperidine-1-carbonyl]amino]methyl]benzoic acid
CID 122019649

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenoxy)-2-methylpropanoyl]-N-pentan-2-ylpiperidine-3-carboxamide?
The IUPAC name of 1-[2-(4-chlorophenoxy)-2-methylpropanoyl]-N-pentan-2-ylpiperidine-3-carboxamide (CID 60607238) is 1-[2-(4-chlorophenoxy)-2-methylpropanoyl]-N-pentan-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(4-chlorophenoxy)-2-methylpropanoyl]-N-pentan-2-ylpiperidine-3-carboxamide?
The canonical SMILES for 1-[2-(4-chlorophenoxy)-2-methylpropanoyl]-N-pentan-2-ylpiperidine-3-carboxamide is CCCC(C)NC(=O)C1CCCN(C(=O)C(C)(C)Oc2ccc(Cl)cc2)C1.
What is the InChIKey of 1-[2-(4-chlorophenoxy)-2-methylpropanoyl]-N-pentan-2-ylpiperidine-3-carboxamide?
The InChIKey is HLEDQSUBGQXSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31ClN2O3/c1-5-7-15(2)23-19(25)16-8-6-13-24(14-16)20(26)21(3,4)27-18-11-9-17(22)10-12-18/h9-12,15-16H,5-8,13-14H2,1-4H3,(H,23,25).
What are the key properties of 1-[2-(4-chlorophenoxy)-2-methylpropanoyl]-N-pentan-2-ylpiperidine-3-carboxamide?
1-[2-(4-chlorophenoxy)-2-methylpropanoyl]-N-pentan-2-ylpiperidine-3-carboxamide has a molecular weight of 394.94 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenoxy)-2-methylpropanoyl]-N-pentan-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 60607238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).