N-(3-methyl-3-phenylbutan-2-yl)piperidine-3-carboxamide;hydrochloride

C17H27ClN2O — CID 119313097

IUPACN-(3-methyl-3-phenylbutan-2-yl)piperidine-3-carboxamide;hydrochloride
SMILESCC(NC(=O)C1CCCNC1)C(C)(C)c1ccccc1.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-13(17(2,3)15-9-5-4-6-10-15)19-16(20)14-8-7-11-18-12-14;/h4-6,9-10,13-14,18H,7-8,11-12H2,1-3H3,(H,19,20);1H
InChIKeySKAFJWNSWHUQRQ-UHFFFAOYSA-N
MW310.87 g/mol
LogP2.89
Rot. Bonds4

About N-(3-methyl-3-phenylbutan-2-yl)piperidine-3-carboxamide;hydrochloride

N-(3-methyl-3-phenylbutan-2-yl)piperidine-3-carboxamide;hydrochloride (PubChem CID 119313097) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is N-(3-methyl-3-phenylbutan-2-yl)piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-methyl-3-phenylbutan-2-yl)piperidine-3-carboxamide;hydrochloride
PubChem CID119313097
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC NameN-(3-methyl-3-phenylbutan-2-yl)piperidine-3-carboxamide;hydrochloride
SMILESCC(NC(=O)C1CCCNC1)C(C)(C)c1ccccc1.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-13(17(2,3)15-9-5-4-6-10-15)19-16(20)14-8-7-11-18-12-14;/h4-6,9-10,13-14,18H,7-8,11-12H2,1-3H3,(H,19,20);1H
InChIKeySKAFJWNSWHUQRQ-UHFFFAOYSA-N
XLogP2.89
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-(3,3-dimethylbutan-2-yl)piperidine-3-carboxamide
CID 104828245
N-(1-phenylethyl)piperidine-3-carboxamide
CID 18071982
N-(1-phenylpropyl)piperidine-3-carboxamide;hydrochloride
CID 119279865
(3S)-N-[1-(2-methylphenyl)ethyl]piperidine-3-carboxamide
CID 81140463
N-[1-(2-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 61258238
N-[1-(benzylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide;hydrochloride
CID 119304562
N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]piperidine-3-carboxamide;hydrochloride
CID 119288571
N-[1-(4-phenoxyphenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119313460
(2S)-2-[[(3S)-piperidine-3-carbonyl]amino]propanoic acid
CID 81139769
(3S)-N-[(1R)-1-pyridin-2-ylethyl]piperidine-3-carboxamide
CID 81407106
(3S)-N-[1-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 81141408
N-(1-phenylmethoxypropan-2-yl)piperidine-3-carboxamide
CID 119335297

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-3-phenylbutan-2-yl)piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(3-methyl-3-phenylbutan-2-yl)piperidine-3-carboxamide;hydrochloride (CID 119313097) is N-(3-methyl-3-phenylbutan-2-yl)piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-methyl-3-phenylbutan-2-yl)piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(3-methyl-3-phenylbutan-2-yl)piperidine-3-carboxamide;hydrochloride is CC(NC(=O)C1CCCNC1)C(C)(C)c1ccccc1.Cl.
What is the InChIKey of N-(3-methyl-3-phenylbutan-2-yl)piperidine-3-carboxamide;hydrochloride?
The InChIKey is SKAFJWNSWHUQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O.ClH/c1-13(17(2,3)15-9-5-4-6-10-15)19-16(20)14-8-7-11-18-12-14;/h4-6,9-10,13-14,18H,7-8,11-12H2,1-3H3,(H,19,20);1H.
What are the key properties of N-(3-methyl-3-phenylbutan-2-yl)piperidine-3-carboxamide;hydrochloride?
N-(3-methyl-3-phenylbutan-2-yl)piperidine-3-carboxamide;hydrochloride has a molecular weight of 310.87 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-3-phenylbutan-2-yl)piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119313097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).