(2R)-1-benzyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidine-2-carboxamide

C21H30N4O — CID 124757765

IUPAC(2R)-1-benzyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidine-2-carboxamide
SMILESCC(C)Cn1cncc1CNC(=O)[C@H]1CCCCN1Cc1ccccc1
InChIInChI=1S/C21H30N4O/c1-17(2)14-25-16-22-12-19(25)13-23-21(26)20-10-6-7-11-24(20)15-18-8-4-3-5-9-18/h3-5,8-9,12,16-17,20H,6-7,10-11,13-15H2,1-2H3,(H,23,26)/t20-/m1/s1
InChIKeyXAEIAKXLMQTYBM-HXUWFJFHSA-N
MW354.50 g/mol
LogP3.21
Rot. Bonds7

About (2R)-1-benzyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidine-2-carboxamide

(2R)-1-benzyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidine-2-carboxamide (PubChem CID 124757765) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is (2R)-1-benzyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-benzyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidine-2-carboxamide
PubChem CID124757765
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC Name(2R)-1-benzyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidine-2-carboxamide
SMILESCC(C)Cn1cncc1CNC(=O)[C@H]1CCCCN1Cc1ccccc1
InChIInChI=1S/C21H30N4O/c1-17(2)14-25-16-22-12-19(25)13-23-21(26)20-10-6-7-11-24(20)15-18-8-4-3-5-9-18/h3-5,8-9,12,16-17,20H,6-7,10-11,13-15H2,1-2H3,(H,23,26)/t20-/m1/s1
InChIKeyXAEIAKXLMQTYBM-HXUWFJFHSA-N
XLogP3.21
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 51094960
(2R)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]oxolane-2-carboxamide
CID 29214742
4-[[[(2R)-1-benzylpyrrolidine-2-carbonyl]amino]methyl]benzoic acid
CID 124703936
(2S)-1-benzyl-N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]pyrrolidine-2-carboxamide
CID 91788449
1-benzyl-N-[2-(methylamino)propyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 120829939
1-benzyl-N-[3-(methylamino)propyl]piperidine-2-carboxamide;dihydrochloride
CID 119433038
(2S)-1-benzyl-N-[(1S)-1-cyanoethyl]piperidine-2-carboxamide
CID 124607982
methyl 1-benzylpiperidine-2-carboxylate
CID 10443988
(2S)-1-benzyl-N-butylpyrrolidine-2-carboxamide
CID 131848769
1-benzyl-N-(1-hydroxypropan-2-yl)pyrrolidine-2-carboxamide
CID 110904280
(3S)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-3-(pyridine-2-carbonyl)piperidine-1-carboxamide
CID 125442586
1-benzyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-2-carboxamide
CID 120947149

Frequently Asked Questions

What is the IUPAC name of (2R)-1-benzyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidine-2-carboxamide?
The IUPAC name of (2R)-1-benzyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidine-2-carboxamide (CID 124757765) is (2R)-1-benzyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidine-2-carboxamide.
What is the SMILES notation for (2R)-1-benzyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidine-2-carboxamide?
The canonical SMILES for (2R)-1-benzyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidine-2-carboxamide is CC(C)Cn1cncc1CNC(=O)[C@H]1CCCCN1Cc1ccccc1.
What is the InChIKey of (2R)-1-benzyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidine-2-carboxamide?
The InChIKey is XAEIAKXLMQTYBM-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H30N4O/c1-17(2)14-25-16-22-12-19(25)13-23-21(26)20-10-6-7-11-24(20)15-18-8-4-3-5-9-18/h3-5,8-9,12,16-17,20H,6-7,10-11,13-15H2,1-2H3,(H,23,26)/t20-/m1/s1.
What are the key properties of (2R)-1-benzyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidine-2-carboxamide?
(2R)-1-benzyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidine-2-carboxamide has a molecular weight of 354.50 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-benzyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidine-2-carboxamide is sourced from PubChem (CID 124757765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).