N-[2-[(2R)-1-benzylpiperidin-2-yl]ethyl]-1H-imidazole-5-carboxamide

C18H24N4O — CID 125158764

IUPACN-[2-[(2R)-1-benzylpiperidin-2-yl]ethyl]-1H-imidazole-5-carboxamide
SMILESO=C(NCC[C@H]1CCCCN1Cc1ccccc1)c1cnc[nH]1
InChIInChI=1S/C18H24N4O/c23-18(17-12-19-14-21-17)20-10-9-16-8-4-5-11-22(16)13-15-6-2-1-3-7-15/h1-3,6-7,12,14,16H,4-5,8-11,13H2,(H,19,21)(H,20,23)/t16-/m1/s1
InChIKeyULTHSZKSJWCYGJ-MRXNPFEDSA-N
MW312.42 g/mol
LogP2.58
Rot. Bonds6

About N-[2-[(2R)-1-benzylpiperidin-2-yl]ethyl]-1H-imidazole-5-carboxamide

N-[2-[(2R)-1-benzylpiperidin-2-yl]ethyl]-1H-imidazole-5-carboxamide (PubChem CID 125158764) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N-[2-[(2R)-1-benzylpiperidin-2-yl]ethyl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[(2R)-1-benzylpiperidin-2-yl]ethyl]-1H-imidazole-5-carboxamide
PubChem CID125158764
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN-[2-[(2R)-1-benzylpiperidin-2-yl]ethyl]-1H-imidazole-5-carboxamide
SMILESO=C(NCC[C@H]1CCCCN1Cc1ccccc1)c1cnc[nH]1
InChIInChI=1S/C18H24N4O/c23-18(17-12-19-14-21-17)20-10-9-16-8-4-5-11-22(16)13-15-6-2-1-3-7-15/h1-3,6-7,12,14,16H,4-5,8-11,13H2,(H,19,21)(H,20,23)/t16-/m1/s1
InChIKeyULTHSZKSJWCYGJ-MRXNPFEDSA-N
XLogP2.58
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-(1-benzylpiperidin-2-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 131894060
1-[2-[(2S)-1-benzylpiperidin-2-yl]ethyl]-3-(6-chloro-3-pyridinyl)urea
CID 97451631
1-[2-[(2S)-1-benzylpiperidin-2-yl]ethyl]-3-(2H-tetrazol-5-ylmethyl)urea
CID 126450941
N-[2-(1-benzylpiperidin-2-yl)ethyl]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide
CID 118775600
1-[2-[(2R)-1-benzylpiperidin-2-yl]ethyl]-3-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]urea
CID 137084168
N-[2-[(2R)-1-benzylpiperidin-2-yl]ethyl]-3-oxo-1,4-diazepane-1-carboxamide
CID 126453267
3-[1-(pyridin-3-ylmethyl)piperidin-2-yl]propanoic acid
CID 62215820
1-benzyl-2-(2-chloroethyl)piperidine
CID 18473722
N-[2-(1-benzylpiperidin-2-yl)ethyl]-3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanamide
CID 131936710
(2S)-1-benzyl-2-propylpiperidine
CID 71407726
N-[2-[(2S)-1-benzylpiperidin-2-yl]ethyl]pyrimidin-4-amine
CID 97126067
3-[(2R)-1-benzylpiperidin-2-yl]-N-methylpropan-1-amine
CID 97167936

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R)-1-benzylpiperidin-2-yl]ethyl]-1H-imidazole-5-carboxamide?
The IUPAC name of N-[2-[(2R)-1-benzylpiperidin-2-yl]ethyl]-1H-imidazole-5-carboxamide (CID 125158764) is N-[2-[(2R)-1-benzylpiperidin-2-yl]ethyl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[2-[(2R)-1-benzylpiperidin-2-yl]ethyl]-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[2-[(2R)-1-benzylpiperidin-2-yl]ethyl]-1H-imidazole-5-carboxamide is O=C(NCC[C@H]1CCCCN1Cc1ccccc1)c1cnc[nH]1.
What is the InChIKey of N-[2-[(2R)-1-benzylpiperidin-2-yl]ethyl]-1H-imidazole-5-carboxamide?
The InChIKey is ULTHSZKSJWCYGJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H24N4O/c23-18(17-12-19-14-21-17)20-10-9-16-8-4-5-11-22(16)13-15-6-2-1-3-7-15/h1-3,6-7,12,14,16H,4-5,8-11,13H2,(H,19,21)(H,20,23)/t16-/m1/s1.
What are the key properties of N-[2-[(2R)-1-benzylpiperidin-2-yl]ethyl]-1H-imidazole-5-carboxamide?
N-[2-[(2R)-1-benzylpiperidin-2-yl]ethyl]-1H-imidazole-5-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R)-1-benzylpiperidin-2-yl]ethyl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 125158764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).