(2S,4S)-N,2-dimethyl-N-[3-(2-methylimidazol-1-yl)propyl]piperidine-4-carboxamide;hydrochloride

C15H27ClN4O — CID 120639694

IUPAC(2S,4S)-N,2-dimethyl-N-[3-(2-methylimidazol-1-yl)propyl]piperidine-4-carboxamide;hydrochloride
SMILESCc1nccn1CCCN(C)C(=O)[C@H]1CCN[C@@H](C)C1.Cl
InChIInChI=1S/C15H26N4O.ClH/c1-12-11-14(5-6-16-12)15(20)18(3)8-4-9-19-10-7-17-13(19)2;/h7,10,12,14,16H,4-6,8-9,11H2,1-3H3;1H/t12-,14-;/m0./s1
InChIKeyTXSZZJDKDOAXMF-KYSPHBLOSA-N
MW314.86 g/mol
LogP1.85
Rot. Bonds5

About (2S,4S)-N,2-dimethyl-N-[3-(2-methylimidazol-1-yl)propyl]piperidine-4-carboxamide;hydrochloride

(2S,4S)-N,2-dimethyl-N-[3-(2-methylimidazol-1-yl)propyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 120639694) has the molecular formula C15H27ClN4O and a molecular weight of 314.86 g/mol. Its IUPAC name is (2S,4S)-N,2-dimethyl-N-[3-(2-methylimidazol-1-yl)propyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-N,2-dimethyl-N-[3-(2-methylimidazol-1-yl)propyl]piperidine-4-carboxamide;hydrochloride
PubChem CID120639694
Molecular FormulaC15H27ClN4O
Molecular Weight314.86 g/mol
Exact Mass314.19
IUPAC Name(2S,4S)-N,2-dimethyl-N-[3-(2-methylimidazol-1-yl)propyl]piperidine-4-carboxamide;hydrochloride
SMILESCc1nccn1CCCN(C)C(=O)[C@H]1CCN[C@@H](C)C1.Cl
InChIInChI=1S/C15H26N4O.ClH/c1-12-11-14(5-6-16-12)15(20)18(3)8-4-9-19-10-7-17-13(19)2;/h7,10,12,14,16H,4-6,8-9,11H2,1-3H3;1H/t12-,14-;/m0./s1
InChIKeyTXSZZJDKDOAXMF-KYSPHBLOSA-N
XLogP1.85
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.86
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dimethylpyrrolidin-1-yl)-N-methyl-N-[3-(2-methylimidazol-1-yl)propyl]propanamide
CID 75430879
[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
CID 120638392
N,2-dimethyl-N-(4-phenylbutyl)piperidine-4-carboxamide
CID 106739419
(2S,4S)-N,2-dimethyl-N-(2-phenoxyethyl)piperidine-4-carboxamide;hydrochloride
CID 120617248
(2S,4S)-N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethylpiperidine-4-carboxamide
CID 120618207
(2S,4S)-N,2-dimethyl-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide;hydrochloride
CID 120636609
(2S,4S)-N-(cyclopentylmethyl)-N,2-dimethylpiperidine-4-carboxamide;hydrochloride
CID 120628237
(2R)-N,N-dimethyl-1-[3-(2-methylimidazol-1-yl)propyl]pyrrolidine-2-carboxamide
CID 97009294
(2S,4S)-2-methyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]piperidine-4-carboxamide
CID 120638608
N-(cyclohexylmethyl)-N,2-dimethylpiperidine-4-carboxamide
CID 106739450
(2S,4S)-N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride
CID 120624510
N-methyl-N-[3-(2-methylimidazol-1-yl)propyl]-5-sulfamoylthiophene-3-carboxamide
CID 139011734

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N,2-dimethyl-N-[3-(2-methylimidazol-1-yl)propyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-N,2-dimethyl-N-[3-(2-methylimidazol-1-yl)propyl]piperidine-4-carboxamide;hydrochloride (CID 120639694) is (2S,4S)-N,2-dimethyl-N-[3-(2-methylimidazol-1-yl)propyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-N,2-dimethyl-N-[3-(2-methylimidazol-1-yl)propyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-N,2-dimethyl-N-[3-(2-methylimidazol-1-yl)propyl]piperidine-4-carboxamide;hydrochloride is Cc1nccn1CCCN(C)C(=O)[C@H]1CCN[C@@H](C)C1.Cl.
What is the InChIKey of (2S,4S)-N,2-dimethyl-N-[3-(2-methylimidazol-1-yl)propyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is TXSZZJDKDOAXMF-KYSPHBLOSA-N. The full InChI is InChI=1S/C15H26N4O.ClH/c1-12-11-14(5-6-16-12)15(20)18(3)8-4-9-19-10-7-17-13(19)2;/h7,10,12,14,16H,4-6,8-9,11H2,1-3H3;1H/t12-,14-;/m0./s1.
What are the key properties of (2S,4S)-N,2-dimethyl-N-[3-(2-methylimidazol-1-yl)propyl]piperidine-4-carboxamide;hydrochloride?
(2S,4S)-N,2-dimethyl-N-[3-(2-methylimidazol-1-yl)propyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 314.86 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N,2-dimethyl-N-[3-(2-methylimidazol-1-yl)propyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120639694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).