N-[2-[(3S)-3-phenylpiperidin-1-yl]ethyl]-1H-imidazole-2-carboxamide

C17H22N4O — CID 95193540

IUPACN-[2-[(3S)-3-phenylpiperidin-1-yl]ethyl]-1H-imidazole-2-carboxamide
SMILESO=C(NCCN1CCC[C@@H](c2ccccc2)C1)c1ncc[nH]1
InChIInChI=1S/C17H22N4O/c22-17(16-18-8-9-19-16)20-10-12-21-11-4-7-15(13-21)14-5-2-1-3-6-14/h1-3,5-6,8-9,15H,4,7,10-13H2,(H,18,19)(H,20,22)/t15-/m1/s1
InChIKeyWBVANOBDJJHZSS-OAHLLOKOSA-N
MW298.39 g/mol
LogP2.02
Rot. Bonds5

About N-[2-[(3S)-3-phenylpiperidin-1-yl]ethyl]-1H-imidazole-2-carboxamide

N-[2-[(3S)-3-phenylpiperidin-1-yl]ethyl]-1H-imidazole-2-carboxamide (PubChem CID 95193540) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[2-[(3S)-3-phenylpiperidin-1-yl]ethyl]-1H-imidazole-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(3S)-3-phenylpiperidin-1-yl]ethyl]-1H-imidazole-2-carboxamide
PubChem CID95193540
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN-[2-[(3S)-3-phenylpiperidin-1-yl]ethyl]-1H-imidazole-2-carboxamide
SMILESO=C(NCCN1CCC[C@@H](c2ccccc2)C1)c1ncc[nH]1
InChIInChI=1S/C17H22N4O/c22-17(16-18-8-9-19-16)20-10-12-21-11-4-7-15(13-21)14-5-2-1-3-6-14/h1-3,5-6,8-9,15H,4,7,10-13H2,(H,18,19)(H,20,22)/t15-/m1/s1
InChIKeyWBVANOBDJJHZSS-OAHLLOKOSA-N
XLogP2.02
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-N-[2-(3-phenylpiperidin-1-yl)ethyl]pyrimidine-5-carboxamide
CID 131915442
N-[2-(3-phenylpiperidin-1-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 72921846
2,6-dimethyl-N-[2-(3-phenylpiperidin-1-yl)ethyl]pyridine-4-carboxamide
CID 77085424
2-oxo-N-[2-[(3R)-3-phenylpiperidin-1-yl]ethyl]-1H-quinoline-4-carboxamide
CID 97445389
2-methylsulfonyl-N-[2-[(3R)-3-phenylpiperidin-1-yl]ethyl]acetamide
CID 95230194
2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[2-(3-phenylpiperidin-1-yl)ethyl]acetamide
CID 91834161
N-[2-(3-phenylpiperidin-1-yl)ethyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
CID 74249904
4-ethyl-2-methyl-N-[2-[(3S)-3-phenylpiperidin-1-yl]ethyl]-1,3-thiazole-5-carboxamide
CID 99946457
4-(2-hydroxyethyl)-N-[2-(3-phenylpiperidin-1-yl)ethyl]piperazine-1-carboxamide
CID 121495919
N-[2-(3-phenylpiperidin-1-yl)ethyl]-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide
CID 131910534
1-[(1-ethylimidazol-2-yl)methyl]-1-methyl-3-[2-[(3R)-3-phenylpiperidin-1-yl]ethyl]urea
CID 126427674
1,4-dimethyl-N-[2-[(3S)-3-phenylpiperidin-1-yl]ethyl]indole-2-carboxamide
CID 99945532

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3S)-3-phenylpiperidin-1-yl]ethyl]-1H-imidazole-2-carboxamide?
The IUPAC name of N-[2-[(3S)-3-phenylpiperidin-1-yl]ethyl]-1H-imidazole-2-carboxamide (CID 95193540) is N-[2-[(3S)-3-phenylpiperidin-1-yl]ethyl]-1H-imidazole-2-carboxamide.
What is the SMILES notation for N-[2-[(3S)-3-phenylpiperidin-1-yl]ethyl]-1H-imidazole-2-carboxamide?
The canonical SMILES for N-[2-[(3S)-3-phenylpiperidin-1-yl]ethyl]-1H-imidazole-2-carboxamide is O=C(NCCN1CCC[C@@H](c2ccccc2)C1)c1ncc[nH]1.
What is the InChIKey of N-[2-[(3S)-3-phenylpiperidin-1-yl]ethyl]-1H-imidazole-2-carboxamide?
The InChIKey is WBVANOBDJJHZSS-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H22N4O/c22-17(16-18-8-9-19-16)20-10-12-21-11-4-7-15(13-21)14-5-2-1-3-6-14/h1-3,5-6,8-9,15H,4,7,10-13H2,(H,18,19)(H,20,22)/t15-/m1/s1.
What are the key properties of N-[2-[(3S)-3-phenylpiperidin-1-yl]ethyl]-1H-imidazole-2-carboxamide?
N-[2-[(3S)-3-phenylpiperidin-1-yl]ethyl]-1H-imidazole-2-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3S)-3-phenylpiperidin-1-yl]ethyl]-1H-imidazole-2-carboxamide is sourced from PubChem (CID 95193540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).