(2S)-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]piperidine-2-carboxamide

C17H22N4O — CID 131930636

IUPAC(2S)-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]piperidine-2-carboxamide
SMILESCc1nccn1Cc1ccccc1NC(=O)[C@@H]1CCCCN1
InChIInChI=1S/C17H22N4O/c1-13-18-10-11-21(13)12-14-6-2-3-7-15(14)20-17(22)16-8-4-5-9-19-16/h2-3,6-7,10-11,16,19H,4-5,8-9,12H2,1H3,(H,20,22)/t16-/m0/s1
InChIKeyGOLDPKXFQKNJMT-INIZCTEOSA-N
MW298.39 g/mol
LogP2.32
Rot. Bonds4

About (2S)-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]piperidine-2-carboxamide

(2S)-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]piperidine-2-carboxamide (PubChem CID 131930636) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is (2S)-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]piperidine-2-carboxamide
PubChem CID131930636
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name(2S)-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]piperidine-2-carboxamide
SMILESCc1nccn1Cc1ccccc1NC(=O)[C@@H]1CCCCN1
InChIInChI=1S/C17H22N4O/c1-13-18-10-11-21(13)12-14-6-2-3-7-15(14)20-17(22)16-8-4-5-9-19-16/h2-3,6-7,10-11,16,19H,4-5,8-9,12H2,1H3,(H,20,22)/t16-/m0/s1
InChIKeyGOLDPKXFQKNJMT-INIZCTEOSA-N
XLogP2.32
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[2-[(dimethylamino)methyl]phenyl]piperidine-2-carboxamide
CID 104912781
N-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]piperidine-2-carboxamide;hydrochloride
CID 119305342
2-[2-(azepane-2-carbonylamino)phenyl]acetic acid
CID 64568355
(2S)-N-(2-pyrazol-1-ylphenyl)piperidine-2-carboxamide
CID 104912988
N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-2-morpholin-3-ylacetamide
CID 56909174
N-[2-(hydroxymethyl)phenyl]pyrrolidine-2-carboxamide
CID 43710720
2-[2-(pyrrolidine-2-carbonylamino)phenyl]acetic acid
CID 62534786
N-[2-(methoxymethyl)phenyl]azepane-2-carboxamide
CID 64563598
N-[2-(2-amino-2-oxoethyl)phenyl]azepane-2-carboxamide
CID 64563986
N-(2-acetylphenyl)piperidine-2-carboxamide
CID 110462300
(2S)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide
CID 61179637
(2R)-N-(2-hydroxyphenyl)piperidine-2-carboxamide
CID 104694666

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]piperidine-2-carboxamide?
The IUPAC name of (2S)-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]piperidine-2-carboxamide (CID 131930636) is (2S)-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]piperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]piperidine-2-carboxamide?
The canonical SMILES for (2S)-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]piperidine-2-carboxamide is Cc1nccn1Cc1ccccc1NC(=O)[C@@H]1CCCCN1.
What is the InChIKey of (2S)-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]piperidine-2-carboxamide?
The InChIKey is GOLDPKXFQKNJMT-INIZCTEOSA-N. The full InChI is InChI=1S/C17H22N4O/c1-13-18-10-11-21(13)12-14-6-2-3-7-15(14)20-17(22)16-8-4-5-9-19-16/h2-3,6-7,10-11,16,19H,4-5,8-9,12H2,1H3,(H,20,22)/t16-/m0/s1.
What are the key properties of (2S)-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]piperidine-2-carboxamide?
(2S)-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]piperidine-2-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]piperidine-2-carboxamide is sourced from PubChem (CID 131930636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).