N-[(1S)-1-(1-methylimidazol-2-yl)butyl]-4-(piperidin-1-ylmethyl)benzamide

C21H30N4O — CID 97206271

IUPACN-[(1S)-1-(1-methylimidazol-2-yl)butyl]-4-(piperidin-1-ylmethyl)benzamide
SMILESCCC[C@H](NC(=O)c1ccc(CN2CCCCC2)cc1)c1nccn1C
InChIInChI=1S/C21H30N4O/c1-3-7-19(20-22-12-15-24(20)2)23-21(26)18-10-8-17(9-11-18)16-25-13-5-4-6-14-25/h8-12,15,19H,3-7,13-14,16H2,1-2H3,(H,23,26)/t19-/m0/s1
InChIKeyCLECBDICSHWARQ-IBGZPJMESA-N
MW354.50 g/mol
LogP3.68
Rot. Bonds7

About N-[(1S)-1-(1-methylimidazol-2-yl)butyl]-4-(piperidin-1-ylmethyl)benzamide

N-[(1S)-1-(1-methylimidazol-2-yl)butyl]-4-(piperidin-1-ylmethyl)benzamide (PubChem CID 97206271) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is N-[(1S)-1-(1-methylimidazol-2-yl)butyl]-4-(piperidin-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[(1S)-1-(1-methylimidazol-2-yl)butyl]-4-(piperidin-1-ylmethyl)benzamide
PubChem CID97206271
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC NameN-[(1S)-1-(1-methylimidazol-2-yl)butyl]-4-(piperidin-1-ylmethyl)benzamide
SMILESCCC[C@H](NC(=O)c1ccc(CN2CCCCC2)cc1)c1nccn1C
InChIInChI=1S/C21H30N4O/c1-3-7-19(20-22-12-15-24(20)2)23-21(26)18-10-8-17(9-11-18)16-25-13-5-4-6-14-25/h8-12,15,19H,3-7,13-14,16H2,1-2H3,(H,23,26)/t19-/m0/s1
InChIKeyCLECBDICSHWARQ-IBGZPJMESA-N
XLogP3.68
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 ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1-methylimidazol-2-yl)butyl]-4-(piperidin-1-ylmethyl)benzamide
CID 72921720
N-[(1R)-1-(1-methylimidazol-2-yl)butyl]-2-oxo-2-pyrrolidin-1-ylacetamide
CID 125178024
4-(6-methoxy-3-pyridinyl)-N-[(1R)-1-(1-methylimidazol-2-yl)butyl]benzamide
CID 126427472
N-[1-(5-methyl-2-pyridinyl)propyl]-4-(piperidin-1-ylmethyl)benzamide
CID 131939571
N-(3-methylbutan-2-yl)-4-(piperidin-1-ylmethyl)benzamide
CID 133249904
4-(azepan-1-ylmethyl)-N-[(1S)-1-(4-methylphenyl)propyl]benzamide
CID 94024816
3-cyano-N-[1-(1-methylimidazol-2-yl)butyl]benzamide
CID 56738213
1-cyclobutyl-3-[1-(1-methylimidazol-2-yl)butyl]urea
CID 122560812
N-[(1R)-1-(1-methylimidazol-2-yl)butyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 125435014
4-(azepan-1-ylmethyl)-N-propylbenzamide
CID 43924202
4-(azepan-1-ylmethyl)-N-[(1R)-1-(2,4-dimethylphenyl)propyl]benzamide
CID 94014120
N-[1-(2,4-dimethylphenyl)propyl]-4-(piperidin-1-ylmethyl)benzamide
CID 46766789

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1-methylimidazol-2-yl)butyl]-4-(piperidin-1-ylmethyl)benzamide?
The IUPAC name of N-[(1S)-1-(1-methylimidazol-2-yl)butyl]-4-(piperidin-1-ylmethyl)benzamide (CID 97206271) is N-[(1S)-1-(1-methylimidazol-2-yl)butyl]-4-(piperidin-1-ylmethyl)benzamide.
What is the SMILES notation for N-[(1S)-1-(1-methylimidazol-2-yl)butyl]-4-(piperidin-1-ylmethyl)benzamide?
The canonical SMILES for N-[(1S)-1-(1-methylimidazol-2-yl)butyl]-4-(piperidin-1-ylmethyl)benzamide is CCC[C@H](NC(=O)c1ccc(CN2CCCCC2)cc1)c1nccn1C.
What is the InChIKey of N-[(1S)-1-(1-methylimidazol-2-yl)butyl]-4-(piperidin-1-ylmethyl)benzamide?
The InChIKey is CLECBDICSHWARQ-IBGZPJMESA-N. The full InChI is InChI=1S/C21H30N4O/c1-3-7-19(20-22-12-15-24(20)2)23-21(26)18-10-8-17(9-11-18)16-25-13-5-4-6-14-25/h8-12,15,19H,3-7,13-14,16H2,1-2H3,(H,23,26)/t19-/m0/s1.
What are the key properties of N-[(1S)-1-(1-methylimidazol-2-yl)butyl]-4-(piperidin-1-ylmethyl)benzamide?
N-[(1S)-1-(1-methylimidazol-2-yl)butyl]-4-(piperidin-1-ylmethyl)benzamide has a molecular weight of 354.50 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1-methylimidazol-2-yl)butyl]-4-(piperidin-1-ylmethyl)benzamide is sourced from PubChem (CID 97206271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).