(2S)-N-[2-[ethyl(methyl)amino]phenyl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide

C18H25N5O — CID 97028237

IUPAC(2S)-N-[2-[ethyl(methyl)amino]phenyl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide
SMILESCCN(C)c1ccccc1NC(=O)N1CCCC[C@H]1c1ncc[nH]1
InChIInChI=1S/C18H25N5O/c1-3-22(2)15-9-5-4-8-14(15)21-18(24)23-13-7-6-10-16(23)17-19-11-12-20-17/h4-5,8-9,11-12,16H,3,6-7,10,13H2,1-2H3,(H,19,20)(H,21,24)/t16-/m0/s1
InChIKeyTWURFMMTTFQQII-INIZCTEOSA-N
MW327.43 g/mol
LogP3.62
Rot. Bonds4

About (2S)-N-[2-[ethyl(methyl)amino]phenyl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide

(2S)-N-[2-[ethyl(methyl)amino]phenyl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide (PubChem CID 97028237) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is (2S)-N-[2-[ethyl(methyl)amino]phenyl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2-[ethyl(methyl)amino]phenyl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide
PubChem CID97028237
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name(2S)-N-[2-[ethyl(methyl)amino]phenyl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide
SMILESCCN(C)c1ccccc1NC(=O)N1CCCC[C@H]1c1ncc[nH]1
InChIInChI=1S/C18H25N5O/c1-3-22(2)15-9-5-4-8-14(15)21-18(24)23-13-7-6-10-16(23)17-19-11-12-20-17/h4-5,8-9,11-12,16H,3,6-7,10,13H2,1-2H3,(H,19,20)(H,21,24)/t16-/m0/s1
InChIKeyTWURFMMTTFQQII-INIZCTEOSA-N
XLogP3.62
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1H-imidazol-2-yl)-N-(2-methylquinolin-8-yl)piperidine-1-carboxamide
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(2R)-N-[(2R)-1-ethylsulfonylpropan-2-yl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 124560581
(2S)-2-(1H-imidazol-2-yl)-N-[1-(2-methoxyethyl)pyrazol-3-yl]piperidine-1-carboxamide
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2-(1H-imidazol-2-yl)-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 51107826
(2S)-2-(1H-imidazol-2-yl)-N-[(1S,2R)-2-methoxycyclohexyl]piperidine-1-carboxamide
CID 124730488
2-(1H-imidazol-2-yl)-N-(3-methyl-1,2-thiazol-5-yl)piperidine-1-carboxamide
CID 71856052
(2S)-2-(1H-imidazol-2-yl)-N-(3-methyl-1,2-thiazol-5-yl)piperidine-1-carboxamide
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2-(1H-imidazol-2-yl)-N-(1-pyridin-2-ylpyrazol-4-yl)piperidine-1-carboxamide
CID 86778865
(2R)-2-(1H-imidazol-2-yl)-N-[(1R,2S)-2-pyrazol-1-ylcyclohexyl]piperidine-1-carboxamide
CID 97085034
N-(1,3-ditert-butylpyrazol-5-yl)-2-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 139009277
(2R)-2-(1H-benzimidazol-2-yl)-N-(1-ethyl-3-methylpyrazol-4-yl)piperidine-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-[ethyl(methyl)amino]phenyl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide?
The IUPAC name of (2S)-N-[2-[ethyl(methyl)amino]phenyl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide (CID 97028237) is (2S)-N-[2-[ethyl(methyl)amino]phenyl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for (2S)-N-[2-[ethyl(methyl)amino]phenyl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide?
The canonical SMILES for (2S)-N-[2-[ethyl(methyl)amino]phenyl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide is CCN(C)c1ccccc1NC(=O)N1CCCC[C@H]1c1ncc[nH]1.
What is the InChIKey of (2S)-N-[2-[ethyl(methyl)amino]phenyl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide?
The InChIKey is TWURFMMTTFQQII-INIZCTEOSA-N. The full InChI is InChI=1S/C18H25N5O/c1-3-22(2)15-9-5-4-8-14(15)21-18(24)23-13-7-6-10-16(23)17-19-11-12-20-17/h4-5,8-9,11-12,16H,3,6-7,10,13H2,1-2H3,(H,19,20)(H,21,24)/t16-/m0/s1.
What are the key properties of (2S)-N-[2-[ethyl(methyl)amino]phenyl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide?
(2S)-N-[2-[ethyl(methyl)amino]phenyl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-[ethyl(methyl)amino]phenyl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 97028237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).