3-[(3S)-3-imidazol-1-ylpiperidine-1-carbonyl]benzamide

C16H18N4O2 — CID 95569094

IUPAC3-[(3S)-3-imidazol-1-ylpiperidine-1-carbonyl]benzamide
SMILESNC(=O)c1cccc(C(=O)N2CCC[C@H](n3ccnc3)C2)c1
InChIInChI=1S/C16H18N4O2/c17-15(21)12-3-1-4-13(9-12)16(22)19-7-2-5-14(10-19)20-8-6-18-11-20/h1,3-4,6,8-9,11,14H,2,5,7,10H2,(H2,17,21)/t14-/m0/s1
InChIKeyUJBHILKISAEKFJ-AWEZNQCLSA-N
MW298.35 g/mol
LogP1.46
Rot. Bonds3

About 3-[(3S)-3-imidazol-1-ylpiperidine-1-carbonyl]benzamide

3-[(3S)-3-imidazol-1-ylpiperidine-1-carbonyl]benzamide (PubChem CID 95569094) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 3-[(3S)-3-imidazol-1-ylpiperidine-1-carbonyl]benzamide.

Molecular Properties

Compound Name3-[(3S)-3-imidazol-1-ylpiperidine-1-carbonyl]benzamide
PubChem CID95569094
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name3-[(3S)-3-imidazol-1-ylpiperidine-1-carbonyl]benzamide
SMILESNC(=O)c1cccc(C(=O)N2CCC[C@H](n3ccnc3)C2)c1
InChIInChI=1S/C16H18N4O2/c17-15(21)12-3-1-4-13(9-12)16(22)19-7-2-5-14(10-19)20-8-6-18-11-20/h1,3-4,6,8-9,11,14H,2,5,7,10H2,(H2,17,21)/t14-/m0/s1
InChIKeyUJBHILKISAEKFJ-AWEZNQCLSA-N
XLogP1.46
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-3-imidazol-1-ylpiperidin-1-yl]-(3-pyrrol-1-ylphenyl)methanone
CID 95313622
5-[(3S)-3-imidazol-1-ylpiperidine-1-carbonyl]thiophene-2-carboxamide
CID 95319281
2,3-dihydro-1,4-benzodioxin-6-yl-[(3S)-3-imidazol-1-ylpiperidin-1-yl]methanone
CID 95312405
[(3S)-3-imidazol-1-ylpiperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 95340983
[(3R)-3-imidazol-1-ylpiperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 95314596
3-[3-(1-aminoethyl)piperidine-1-carbonyl]benzamide;hydrochloride
CID 119595557
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(3S)-3-imidazol-1-ylpiperidin-1-yl]methanone
CID 95314051
[(3S)-3-imidazol-1-ylpiperidin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 95323916
imidazo[1,2-a]pyridin-2-yl-[(3R)-3-imidazol-1-ylpiperidin-1-yl]methanone
CID 95350987
[(3S)-3-imidazol-1-ylpiperidin-1-yl]-(1H-indazol-3-yl)methanone
CID 95313752
(2,6-dimethylquinolin-3-yl)-[(3S)-3-imidazol-1-ylpiperidin-1-yl]methanone
CID 95325581
(3-chloro-4,5-dimethoxyphenyl)-[(3R)-3-imidazol-1-ylpiperidin-1-yl]methanone
CID 95314255

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-3-imidazol-1-ylpiperidine-1-carbonyl]benzamide?
The IUPAC name of 3-[(3S)-3-imidazol-1-ylpiperidine-1-carbonyl]benzamide (CID 95569094) is 3-[(3S)-3-imidazol-1-ylpiperidine-1-carbonyl]benzamide.
What is the SMILES notation for 3-[(3S)-3-imidazol-1-ylpiperidine-1-carbonyl]benzamide?
The canonical SMILES for 3-[(3S)-3-imidazol-1-ylpiperidine-1-carbonyl]benzamide is NC(=O)c1cccc(C(=O)N2CCC[C@H](n3ccnc3)C2)c1.
What is the InChIKey of 3-[(3S)-3-imidazol-1-ylpiperidine-1-carbonyl]benzamide?
The InChIKey is UJBHILKISAEKFJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H18N4O2/c17-15(21)12-3-1-4-13(9-12)16(22)19-7-2-5-14(10-19)20-8-6-18-11-20/h1,3-4,6,8-9,11,14H,2,5,7,10H2,(H2,17,21)/t14-/m0/s1.
What are the key properties of 3-[(3S)-3-imidazol-1-ylpiperidine-1-carbonyl]benzamide?
3-[(3S)-3-imidazol-1-ylpiperidine-1-carbonyl]benzamide has a molecular weight of 298.35 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-3-imidazol-1-ylpiperidine-1-carbonyl]benzamide is sourced from PubChem (CID 95569094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).