(2S,4S)-N-[1-(3-imidazol-1-ylphenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride

C18H25ClN4O — CID 120637803

IUPAC(2S,4S)-N-[1-(3-imidazol-1-ylphenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESCC(NC(=O)[C@H]1CCN[C@@H](C)C1)c1cccc(-n2ccnc2)c1.Cl
InChIInChI=1S/C18H24N4O.ClH/c1-13-10-16(6-7-20-13)18(23)21-14(2)15-4-3-5-17(11-15)22-9-8-19-12-22;/h3-5,8-9,11-14,16,20H,6-7,10H2,1-2H3,(H,21,23);1H/t13-,14?,16-;/m0./s1
InChIKeyCPFCMGHJQSQDQY-VKDUWCACSA-N
MW348.88 g/mol
LogP2.86
Rot. Bonds4

About (2S,4S)-N-[1-(3-imidazol-1-ylphenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride

(2S,4S)-N-[1-(3-imidazol-1-ylphenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120637803) has the molecular formula C18H25ClN4O and a molecular weight of 348.88 g/mol. Its IUPAC name is (2S,4S)-N-[1-(3-imidazol-1-ylphenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-N-[1-(3-imidazol-1-ylphenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
PubChem CID120637803
Molecular FormulaC18H25ClN4O
Molecular Weight348.88 g/mol
Exact Mass348.17
IUPAC Name(2S,4S)-N-[1-(3-imidazol-1-ylphenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESCC(NC(=O)[C@H]1CCN[C@@H](C)C1)c1cccc(-n2ccnc2)c1.Cl
InChIInChI=1S/C18H24N4O.ClH/c1-13-10-16(6-7-20-13)18(23)21-14(2)15-4-3-5-17(11-15)22-9-8-19-12-22;/h3-5,8-9,11-14,16,20H,6-7,10H2,1-2H3,(H,21,23);1H/t13-,14?,16-;/m0./s1
InChIKeyCPFCMGHJQSQDQY-VKDUWCACSA-N
XLogP2.86
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.88
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-2-methyl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]piperidine-4-carboxamide
CID 120633546
(2R,3S)-N-[1-(3-imidazol-1-ylphenyl)ethyl]-2-methylmorpholine-3-carboxamide
CID 120942758
N-[1-(3-imidazol-1-ylphenyl)ethyl]morpholine-3-carboxamide
CID 119899645
N-[1-(3-imidazol-1-ylphenyl)ethyl]acetamide
CID 175743937
2-methyl-N-(1-phenylethyl)piperidine-4-carboxamide
CID 106738514
N-[(1S)-1-(3-fluorophenyl)ethyl]-2-methylpiperidine-4-carboxamide
CID 106740405
(2S,4S)-2-methyl-N-[1-(4-pyrazol-1-ylphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 120636935
(2S,4S)-2-methyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide
CID 120622085
N-[1-(3-imidazol-1-ylphenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 119942551
(2S,4S)-2-methyl-N-[1-(4-pyridin-4-ylphenyl)ethyl]piperidine-4-carboxamide
CID 120638054
4-[1-(3-imidazol-1-ylphenyl)ethylcarbamoylamino]butanoic acid
CID 122004350
N-[1-(3-imidazol-1-ylphenyl)ethyl]-4-methoxypiperidine-4-carboxamide
CID 119899677

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[1-(3-imidazol-1-ylphenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-N-[1-(3-imidazol-1-ylphenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride (CID 120637803) is (2S,4S)-N-[1-(3-imidazol-1-ylphenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-N-[1-(3-imidazol-1-ylphenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-N-[1-(3-imidazol-1-ylphenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride is CC(NC(=O)[C@H]1CCN[C@@H](C)C1)c1cccc(-n2ccnc2)c1.Cl.
What is the InChIKey of (2S,4S)-N-[1-(3-imidazol-1-ylphenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is CPFCMGHJQSQDQY-VKDUWCACSA-N. The full InChI is InChI=1S/C18H24N4O.ClH/c1-13-10-16(6-7-20-13)18(23)21-14(2)15-4-3-5-17(11-15)22-9-8-19-12-22;/h3-5,8-9,11-14,16,20H,6-7,10H2,1-2H3,(H,21,23);1H/t13-,14?,16-;/m0./s1.
What are the key properties of (2S,4S)-N-[1-(3-imidazol-1-ylphenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
(2S,4S)-N-[1-(3-imidazol-1-ylphenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 348.88 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[1-(3-imidazol-1-ylphenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120637803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).