1-[1-[4-(imidazol-1-ylmethyl)benzoyl]azetidin-3-yl]piperidine-4-carboxamide

C20H25N5O2 — CID 121154036

IUPAC1-[1-[4-(imidazol-1-ylmethyl)benzoyl]azetidin-3-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C2CN(C(=O)c3ccc(Cn4ccnc4)cc3)C2)CC1
InChIInChI=1S/C20H25N5O2/c21-19(26)16-5-8-24(9-6-16)18-12-25(13-18)20(27)17-3-1-15(2-4-17)11-23-10-7-22-14-23/h1-4,7,10,14,16,18H,5-6,8-9,11-13H2,(H2,21,26)
InChIKeyTVSZSGQRCRHVTJ-UHFFFAOYSA-N
MW367.45 g/mol
LogP0.95
Rot. Bonds5

About 1-[1-[4-(imidazol-1-ylmethyl)benzoyl]azetidin-3-yl]piperidine-4-carboxamide

1-[1-[4-(imidazol-1-ylmethyl)benzoyl]azetidin-3-yl]piperidine-4-carboxamide (PubChem CID 121154036) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 1-[1-[4-(imidazol-1-ylmethyl)benzoyl]azetidin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-[4-(imidazol-1-ylmethyl)benzoyl]azetidin-3-yl]piperidine-4-carboxamide
PubChem CID121154036
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name1-[1-[4-(imidazol-1-ylmethyl)benzoyl]azetidin-3-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C2CN(C(=O)c3ccc(Cn4ccnc4)cc3)C2)CC1
InChIInChI=1S/C20H25N5O2/c21-19(26)16-5-8-24(9-6-16)18-12-25(13-18)20(27)17-3-1-15(2-4-17)11-23-10-7-22-14-23/h1-4,7,10,14,16,18H,5-6,8-9,11-13H2,(H2,21,26)
InChIKeyTVSZSGQRCRHVTJ-UHFFFAOYSA-N
XLogP0.95
TPSA84.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(hydroxymethyl)azetidin-1-yl]-[4-(imidazol-1-ylmethyl)phenyl]methanone
CID 121105751
ethyl 1-[4-(imidazol-1-ylmethyl)benzoyl]piperidine-4-carboxylate
CID 43923306
[4-(imidazol-1-ylmethyl)phenyl]-[4-(triazol-2-yl)piperidin-1-yl]methanone
CID 121165004
[4-(imidazol-1-ylmethyl)phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 94022564
[(3S)-3-(4-fluorophenyl)azepan-1-yl]-[4-(imidazol-1-ylmethyl)phenyl]methanone
CID 99873260
(4-ethylpiperazin-1-yl)-[4-(imidazol-1-ylmethyl)phenyl]methanone
CID 43924627
2-[4-[4-(imidazol-1-ylmethyl)benzoyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 55719379
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 37423671
[4-(imidazol-1-ylmethyl)phenyl]-[3-(prop-2-ynoxymethyl)piperidin-1-yl]methanone
CID 90505298
[(3S,4R)-3-amino-4-(1-methylimidazol-2-yl)pyrrolidin-1-yl]-[4-(imidazol-1-ylmethyl)phenyl]methanone
CID 167956107
(2R)-1-[4-(imidazol-1-ylmethyl)benzoyl]pyrrolidine-2-carboxylic acid
CID 119371177
[4-(imidazol-1-ylmethyl)phenyl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 163346774

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(imidazol-1-ylmethyl)benzoyl]azetidin-3-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[1-[4-(imidazol-1-ylmethyl)benzoyl]azetidin-3-yl]piperidine-4-carboxamide (CID 121154036) is 1-[1-[4-(imidazol-1-ylmethyl)benzoyl]azetidin-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-[4-(imidazol-1-ylmethyl)benzoyl]azetidin-3-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[1-[4-(imidazol-1-ylmethyl)benzoyl]azetidin-3-yl]piperidine-4-carboxamide is NC(=O)C1CCN(C2CN(C(=O)c3ccc(Cn4ccnc4)cc3)C2)CC1.
What is the InChIKey of 1-[1-[4-(imidazol-1-ylmethyl)benzoyl]azetidin-3-yl]piperidine-4-carboxamide?
The InChIKey is TVSZSGQRCRHVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c21-19(26)16-5-8-24(9-6-16)18-12-25(13-18)20(27)17-3-1-15(2-4-17)11-23-10-7-22-14-23/h1-4,7,10,14,16,18H,5-6,8-9,11-13H2,(H2,21,26).
What are the key properties of 1-[1-[4-(imidazol-1-ylmethyl)benzoyl]azetidin-3-yl]piperidine-4-carboxamide?
1-[1-[4-(imidazol-1-ylmethyl)benzoyl]azetidin-3-yl]piperidine-4-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(imidazol-1-ylmethyl)benzoyl]azetidin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 121154036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).