N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-3-piperidin-3-ylbutanamide

C21H30N4O — CID 119898673

IUPACN-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)NCc1nccn1CCc1ccccc1)C1CCCNC1
InChIInChI=1S/C21H30N4O/c1-17(19-8-5-10-22-15-19)14-21(26)24-16-20-23-11-13-25(20)12-9-18-6-3-2-4-7-18/h2-4,6-7,11,13,17,19,22H,5,8-10,12,14-16H2,1H3,(H,24,26)
InChIKeyCJOFQCUWGWXFHS-UHFFFAOYSA-N
MW354.50 g/mol
LogP2.77
Rot. Bonds8

About N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-3-piperidin-3-ylbutanamide

N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-3-piperidin-3-ylbutanamide (PubChem CID 119898673) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-3-piperidin-3-ylbutanamide
PubChem CID119898673
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC NameN-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)NCc1nccn1CCc1ccccc1)C1CCCNC1
InChIInChI=1S/C21H30N4O/c1-17(19-8-5-10-22-15-19)14-21(26)24-16-20-23-11-13-25(20)12-9-18-6-3-2-4-7-18/h2-4,6-7,11,13,17,19,22H,5,8-10,12,14-16H2,1H3,(H,24,26)
InChIKeyCJOFQCUWGWXFHS-UHFFFAOYSA-N
XLogP2.77
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-piperidin-3-yl-N-(pyridin-2-ylmethyl)butanamide
CID 81043996
N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-2-pyrrolidin-2-ylacetamide
CID 119898701
N-[2-(2-methylimidazol-1-yl)ethyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119869277
N-[4-(2-methylimidazol-1-yl)butyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119892478
N-[(4-phenylmethoxyphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119712153
N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119728201
N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-2-pyrrolidin-1-ylacetamide
CID 166249976
N-[3-(2-phenylethoxy)propyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119739682
N-[(2-methoxy-3-pyridinyl)methyl]-3-piperidin-3-ylbutanamide
CID 81049427
N-(3,3-diphenylpropyl)-3-piperidin-3-ylbutanamide
CID 119675917
2-(cyclopropylmethylamino)-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]acetamide;dihydrochloride
CID 119898678
N-[(3-ethyl-2-pyridinyl)methyl]-3-piperidin-3-ylbutanamide
CID 82737570

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-3-piperidin-3-ylbutanamide?
The IUPAC name of N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-3-piperidin-3-ylbutanamide (CID 119898673) is N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-3-piperidin-3-ylbutanamide is CC(CC(=O)NCc1nccn1CCc1ccccc1)C1CCCNC1.
What is the InChIKey of N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-3-piperidin-3-ylbutanamide?
The InChIKey is CJOFQCUWGWXFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O/c1-17(19-8-5-10-22-15-19)14-21(26)24-16-20-23-11-13-25(20)12-9-18-6-3-2-4-7-18/h2-4,6-7,11,13,17,19,22H,5,8-10,12,14-16H2,1H3,(H,24,26).
What are the key properties of N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-3-piperidin-3-ylbutanamide?
N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-3-piperidin-3-ylbutanamide has a molecular weight of 354.50 g/mol, XLogP of 2.77, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 119898673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).