(2S)-N-(1-methylimidazol-2-yl)-1-propylpiperidine-2-carboxamide;hydrochloride

C13H23ClN4O — CID 141480030

IUPAC(2S)-N-(1-methylimidazol-2-yl)-1-propylpiperidine-2-carboxamide;hydrochloride
SMILESCCCN1CCCC[C@H]1C(=O)Nc1nccn1C.Cl
InChIInChI=1S/C13H22N4O.ClH/c1-3-8-17-9-5-4-6-11(17)12(18)15-13-14-7-10-16(13)2;/h7,10-11H,3-6,8-9H2,1-2H3,(H,14,15,18);1H/t11-;/m0./s1
InChIKeyGELCDJQSYVWOIL-MERQFXBCSA-N
MW286.81 g/mol
LogP2.04
Rot. Bonds4

About (2S)-N-(1-methylimidazol-2-yl)-1-propylpiperidine-2-carboxamide;hydrochloride

(2S)-N-(1-methylimidazol-2-yl)-1-propylpiperidine-2-carboxamide;hydrochloride (PubChem CID 141480030) has the molecular formula C13H23ClN4O and a molecular weight of 286.81 g/mol. Its IUPAC name is (2S)-N-(1-methylimidazol-2-yl)-1-propylpiperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S)-N-(1-methylimidazol-2-yl)-1-propylpiperidine-2-carboxamide;hydrochloride
PubChem CID141480030
Molecular FormulaC13H23ClN4O
Molecular Weight286.81 g/mol
Exact Mass286.16
IUPAC Name(2S)-N-(1-methylimidazol-2-yl)-1-propylpiperidine-2-carboxamide;hydrochloride
SMILESCCCN1CCCC[C@H]1C(=O)Nc1nccn1C.Cl
InChIInChI=1S/C13H22N4O.ClH/c1-3-8-17-9-5-4-6-11(17)12(18)15-13-14-7-10-16(13)2;/h7,10-11H,3-6,8-9H2,1-2H3,(H,14,15,18);1H/t11-;/m0./s1
InChIKeyGELCDJQSYVWOIL-MERQFXBCSA-N
XLogP2.04
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.81
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1-methylimidazol-2-yl)-1-propylpiperidine-2-carboxamide;hydrochloride?
The IUPAC name of (2S)-N-(1-methylimidazol-2-yl)-1-propylpiperidine-2-carboxamide;hydrochloride (CID 141480030) is (2S)-N-(1-methylimidazol-2-yl)-1-propylpiperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S)-N-(1-methylimidazol-2-yl)-1-propylpiperidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2S)-N-(1-methylimidazol-2-yl)-1-propylpiperidine-2-carboxamide;hydrochloride is CCCN1CCCC[C@H]1C(=O)Nc1nccn1C.Cl.
What is the InChIKey of (2S)-N-(1-methylimidazol-2-yl)-1-propylpiperidine-2-carboxamide;hydrochloride?
The InChIKey is GELCDJQSYVWOIL-MERQFXBCSA-N. The full InChI is InChI=1S/C13H22N4O.ClH/c1-3-8-17-9-5-4-6-11(17)12(18)15-13-14-7-10-16(13)2;/h7,10-11H,3-6,8-9H2,1-2H3,(H,14,15,18);1H/t11-;/m0./s1.
What are the key properties of (2S)-N-(1-methylimidazol-2-yl)-1-propylpiperidine-2-carboxamide;hydrochloride?
(2S)-N-(1-methylimidazol-2-yl)-1-propylpiperidine-2-carboxamide;hydrochloride has a molecular weight of 286.81 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(1-methylimidazol-2-yl)-1-propylpiperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 141480030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).