(2S)-N-quinolin-3-ylpiperidine-2-carboxamide;dihydrochloride

C15H19Cl2N3O — CID 119840907

IUPAC(2S)-N-quinolin-3-ylpiperidine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1cnc2ccccc2c1)[C@@H]1CCCCN1
InChIInChI=1S/C15H17N3O.2ClH/c19-15(14-7-3-4-8-16-14)18-12-9-11-5-1-2-6-13(11)17-10-12;;/h1-2,5-6,9-10,14,16H,3-4,7-8H2,(H,18,19);2*1H/t14-;;/m0../s1
InChIKeyWVMOYBVCHAQXCI-UTLKBRERSA-N
MW328.24 g/mol
LogP3.16
Rot. Bonds2

About (2S)-N-quinolin-3-ylpiperidine-2-carboxamide;dihydrochloride

(2S)-N-quinolin-3-ylpiperidine-2-carboxamide;dihydrochloride (PubChem CID 119840907) has the molecular formula C15H19Cl2N3O and a molecular weight of 328.24 g/mol. Its IUPAC name is (2S)-N-quinolin-3-ylpiperidine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name(2S)-N-quinolin-3-ylpiperidine-2-carboxamide;dihydrochloride
PubChem CID119840907
Molecular FormulaC15H19Cl2N3O
Molecular Weight328.24 g/mol
Exact Mass327.09
IUPAC Name(2S)-N-quinolin-3-ylpiperidine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1cnc2ccccc2c1)[C@@H]1CCCCN1
InChIInChI=1S/C15H17N3O.2ClH/c19-15(14-7-3-4-8-16-14)18-12-9-11-5-1-2-6-13(11)17-10-12;;/h1-2,5-6,9-10,14,16H,3-4,7-8H2,(H,18,19);2*1H/t14-;;/m0../s1
InChIKeyWVMOYBVCHAQXCI-UTLKBRERSA-N
XLogP3.16
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.24
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-quinolin-3-ylpyrrolidine-2-carboxamide
CID 103813435
N-quinolin-3-ylpyrrolidine-3-carboxamide;dihydrochloride
CID 119840923
(2S)-N-phenylpiperidine-2-carboxamide;hydrochloride
CID 68574355
N-(quinolin-3-ylmethyl)pyrrolidine-2-carboxamide;dihydrochloride
CID 119855878
1-(pyrrolidine-1-carbonyl)-N-quinolin-3-ylpiperidine-4-carboxamide
CID 55718448
N-quinoxalin-6-ylpiperidine-2-carboxamide
CID 54862032
(2R)-N-pyridin-4-ylpiperidine-2-carboxamide;dihydrochloride
CID 119827101
N-(3,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 42943662
N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)piperidine-2-carboxamide
CID 61258312
(2S,4S)-4-amino-4-[[(2R)-2-hydroxy-4-phenylbutanoyl]amino]-1-(piperidine-2-carbonyl)-N-quinolin-3-ylpyrrolidine-2-carboxamide
CID 21341472
(2S)-N-(6-anilino-3-pyridinyl)pyrrolidine-2-carboxamide;hydrochloride
CID 122081463
(2R)-N-(3-chlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 119671014

Frequently Asked Questions

What is the IUPAC name of (2S)-N-quinolin-3-ylpiperidine-2-carboxamide;dihydrochloride?
The IUPAC name of (2S)-N-quinolin-3-ylpiperidine-2-carboxamide;dihydrochloride (CID 119840907) is (2S)-N-quinolin-3-ylpiperidine-2-carboxamide;dihydrochloride.
What is the SMILES notation for (2S)-N-quinolin-3-ylpiperidine-2-carboxamide;dihydrochloride?
The canonical SMILES for (2S)-N-quinolin-3-ylpiperidine-2-carboxamide;dihydrochloride is Cl.Cl.O=C(Nc1cnc2ccccc2c1)[C@@H]1CCCCN1.
What is the InChIKey of (2S)-N-quinolin-3-ylpiperidine-2-carboxamide;dihydrochloride?
The InChIKey is WVMOYBVCHAQXCI-UTLKBRERSA-N. The full InChI is InChI=1S/C15H17N3O.2ClH/c19-15(14-7-3-4-8-16-14)18-12-9-11-5-1-2-6-13(11)17-10-12;;/h1-2,5-6,9-10,14,16H,3-4,7-8H2,(H,18,19);2*1H/t14-;;/m0../s1.
What are the key properties of (2S)-N-quinolin-3-ylpiperidine-2-carboxamide;dihydrochloride?
(2S)-N-quinolin-3-ylpiperidine-2-carboxamide;dihydrochloride has a molecular weight of 328.24 g/mol, XLogP of 3.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-quinolin-3-ylpiperidine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119840907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).