(2S,4S)-2-methyl-N-quinolin-8-ylpiperidine-4-carboxamide;hydrochloride

C16H20ClN3O — CID 120631987

IUPAC(2S,4S)-2-methyl-N-quinolin-8-ylpiperidine-4-carboxamide;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)Nc2cccc3cccnc23)CCN1.Cl
InChIInChI=1S/C16H19N3O.ClH/c1-11-10-13(7-9-17-11)16(20)19-14-6-2-4-12-5-3-8-18-15(12)14;/h2-6,8,11,13,17H,7,9-10H2,1H3,(H,19,20);1H/t11-,13-;/m0./s1
InChIKeyUHWZQQKRYUWQSI-JZKFLRDJSA-N
MW305.81 g/mol
LogP2.98
Rot. Bonds2

About (2S,4S)-2-methyl-N-quinolin-8-ylpiperidine-4-carboxamide;hydrochloride

(2S,4S)-2-methyl-N-quinolin-8-ylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120631987) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is (2S,4S)-2-methyl-N-quinolin-8-ylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-2-methyl-N-quinolin-8-ylpiperidine-4-carboxamide;hydrochloride
PubChem CID120631987
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name(2S,4S)-2-methyl-N-quinolin-8-ylpiperidine-4-carboxamide;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)Nc2cccc3cccnc23)CCN1.Cl
InChIInChI=1S/C16H19N3O.ClH/c1-11-10-13(7-9-17-11)16(20)19-14-6-2-4-12-5-3-8-18-15(12)14;/h2-6,8,11,13,17H,7,9-10H2,1H3,(H,19,20);1H/t11-,13-;/m0./s1
InChIKeyUHWZQQKRYUWQSI-JZKFLRDJSA-N
XLogP2.98
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-N-(2-hydroxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120631829
N-quinolin-8-ylcyclohexanecarboxamide
CID 835933
(2S,4S)-2-methyl-N-(3-methyl-2-pyridinyl)piperidine-4-carboxamide;hydrochloride
CID 120631492
(2S,4S)-N-(2,1,3-benzoxadiazol-4-yl)-2-methylpiperidine-4-carboxamide
CID 126829213
N-(3-chloro-2-pyridinyl)-2-methylpiperidine-4-carboxamide
CID 106740789
N-quinolin-8-ylpiperidine-2-carboxamide
CID 18071566
(2S,4S)-N-(3-fluoro-2-methylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620625
1-N-cyclopropyl-4-N-quinolin-8-ylcyclohexane-1,4-dicarboxamide
CID 109144816
2-N,3-N-di(quinolin-8-yl)bicyclo[2.2.1]heptane-2,3-dicarboxamide
CID 135023876
(2S,4S)-2-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 120620558
4-butyl-N-quinolin-8-ylcyclohexane-1-carboxamide
CID 20895152
(2S,4S)-N-(3-benzamido-2-methylphenyl)-2-methylpiperidine-4-carboxamide
CID 120624536

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-methyl-N-quinolin-8-ylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-2-methyl-N-quinolin-8-ylpiperidine-4-carboxamide;hydrochloride (CID 120631987) is (2S,4S)-2-methyl-N-quinolin-8-ylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-2-methyl-N-quinolin-8-ylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-2-methyl-N-quinolin-8-ylpiperidine-4-carboxamide;hydrochloride is C[C@H]1C[C@@H](C(=O)Nc2cccc3cccnc23)CCN1.Cl.
What is the InChIKey of (2S,4S)-2-methyl-N-quinolin-8-ylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is UHWZQQKRYUWQSI-JZKFLRDJSA-N. The full InChI is InChI=1S/C16H19N3O.ClH/c1-11-10-13(7-9-17-11)16(20)19-14-6-2-4-12-5-3-8-18-15(12)14;/h2-6,8,11,13,17H,7,9-10H2,1H3,(H,19,20);1H/t11-,13-;/m0./s1.
What are the key properties of (2S,4S)-2-methyl-N-quinolin-8-ylpiperidine-4-carboxamide;hydrochloride?
(2S,4S)-2-methyl-N-quinolin-8-ylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 305.81 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-methyl-N-quinolin-8-ylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120631987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).