(2S,4S)-N-(7-chloro-1H-indazol-3-yl)-2-methylpiperidine-4-carboxamide;hydrochloride

C14H18Cl2N4O — CID 120640385

IUPAC(2S,4S)-N-(7-chloro-1H-indazol-3-yl)-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)Nc2n[nH]c3c(Cl)cccc23)CCN1.Cl
InChIInChI=1S/C14H17ClN4O.ClH/c1-8-7-9(5-6-16-8)14(20)17-13-10-3-2-4-11(15)12(10)18-19-13;/h2-4,8-9,16H,5-7H2,1H3,(H2,17,18,19,20);1H/t8-,9-;/m0./s1
InChIKeyMWNKOXFBMPFHCT-OZZZDHQUSA-N
MW329.23 g/mol
LogP2.96
Rot. Bonds2

About (2S,4S)-N-(7-chloro-1H-indazol-3-yl)-2-methylpiperidine-4-carboxamide;hydrochloride

(2S,4S)-N-(7-chloro-1H-indazol-3-yl)-2-methylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120640385) has the molecular formula C14H18Cl2N4O and a molecular weight of 329.23 g/mol. Its IUPAC name is (2S,4S)-N-(7-chloro-1H-indazol-3-yl)-2-methylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-N-(7-chloro-1H-indazol-3-yl)-2-methylpiperidine-4-carboxamide;hydrochloride
PubChem CID120640385
Molecular FormulaC14H18Cl2N4O
Molecular Weight329.23 g/mol
Exact Mass328.09
IUPAC Name(2S,4S)-N-(7-chloro-1H-indazol-3-yl)-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)Nc2n[nH]c3c(Cl)cccc23)CCN1.Cl
InChIInChI=1S/C14H17ClN4O.ClH/c1-8-7-9(5-6-16-8)14(20)17-13-10-3-2-4-11(15)12(10)18-19-13;/h2-4,8-9,16H,5-7H2,1H3,(H2,17,18,19,20);1H/t8-,9-;/m0./s1
InChIKeyMWNKOXFBMPFHCT-OZZZDHQUSA-N
XLogP2.96
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.23
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-2-pyridinyl)-2-methylpiperidine-4-carboxamide
CID 106740789
N-(3,4-dichlorophenyl)-2-methylpiperidine-4-carboxamide
CID 106738581
(2S,4S)-2-methyl-N-(3-methyl-2-pyridinyl)piperidine-4-carboxamide;hydrochloride
CID 120631492
(2S,4S)-N-(3-iodophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120616575
(2S,4S)-N-[4-(cyclopropanecarbonylamino)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120619530
(2S,4S)-N-(4-chloro-3-fluorophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620459
(2S,4S)-N-[2-(2,6-dichlorophenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120625296
(2S,4S)-N-(3-acetamidophenyl)-2-methylpiperidine-4-carboxamide
CID 120616198
(2S,4S)-N-(2-hydroxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120631829
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylpiperidine-4-carboxamide
CID 106738599
(2S,4S)-N-[1-(2,6-dichlorophenyl)propan-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120640514
(2S,4S)-N-[2,6-di(propan-2-yl)phenyl]-2-methylpiperidine-4-carboxamide
CID 120616178

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-(7-chloro-1H-indazol-3-yl)-2-methylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-N-(7-chloro-1H-indazol-3-yl)-2-methylpiperidine-4-carboxamide;hydrochloride (CID 120640385) is (2S,4S)-N-(7-chloro-1H-indazol-3-yl)-2-methylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-N-(7-chloro-1H-indazol-3-yl)-2-methylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-N-(7-chloro-1H-indazol-3-yl)-2-methylpiperidine-4-carboxamide;hydrochloride is C[C@H]1C[C@@H](C(=O)Nc2n[nH]c3c(Cl)cccc23)CCN1.Cl.
What is the InChIKey of (2S,4S)-N-(7-chloro-1H-indazol-3-yl)-2-methylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is MWNKOXFBMPFHCT-OZZZDHQUSA-N. The full InChI is InChI=1S/C14H17ClN4O.ClH/c1-8-7-9(5-6-16-8)14(20)17-13-10-3-2-4-11(15)12(10)18-19-13;/h2-4,8-9,16H,5-7H2,1H3,(H2,17,18,19,20);1H/t8-,9-;/m0./s1.
What are the key properties of (2S,4S)-N-(7-chloro-1H-indazol-3-yl)-2-methylpiperidine-4-carboxamide;hydrochloride?
(2S,4S)-N-(7-chloro-1H-indazol-3-yl)-2-methylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 329.23 g/mol, XLogP of 2.96, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-(7-chloro-1H-indazol-3-yl)-2-methylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120640385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).