(3-bromophenyl)-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone

C15H16BrN3O — CID 110725789

IUPAC(3-bromophenyl)-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone
SMILESO=C(c1cccc(Br)c1)N1CCC(c2ncc[nH]2)CC1
InChIInChI=1S/C15H16BrN3O/c16-13-3-1-2-12(10-13)15(20)19-8-4-11(5-9-19)14-17-6-7-18-14/h1-3,6-7,10-11H,4-5,8-9H2,(H,17,18)
InChIKeyOOSBJHHKSVBJLH-UHFFFAOYSA-N
MW334.22 g/mol
LogP3.19
Rot. Bonds2

About (3-bromophenyl)-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone

(3-bromophenyl)-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone (PubChem CID 110725789) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is (3-bromophenyl)-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-bromophenyl)-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone
PubChem CID110725789
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC Name(3-bromophenyl)-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone
SMILESO=C(c1cccc(Br)c1)N1CCC(c2ncc[nH]2)CC1
InChIInChI=1S/C15H16BrN3O/c16-13-3-1-2-12(10-13)15(20)19-8-4-11(5-9-19)14-17-6-7-18-14/h1-3,6-7,10-11H,4-5,8-9H2,(H,17,18)
InChIKeyOOSBJHHKSVBJLH-UHFFFAOYSA-N
XLogP3.19
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(1H-imidazol-2-yl)piperidin-1-yl]-(3-pyrrolidin-3-ylphenyl)methanone
CID 70720892
[4-(1H-imidazol-2-yl)piperidin-1-yl]-[3-[(3R)-pyrrolidin-3-yl]phenyl]methanone
CID 95861977
(3-bromophenyl)-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 110476889
[4-(1H-imidazol-2-yl)piperidin-1-yl]-(2-propan-2-ylpyrimidin-5-yl)methanone
CID 74242488
[4-(1H-imidazol-2-yl)piperidin-1-yl]-(4-methyl-1H-pyrrol-2-yl)methanone
CID 70749250
(3-bromophenyl)-(3-bromopyrrolidin-1-yl)methanone
CID 80677696
(3,5-dichloro-2-pyridinyl)-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 155955172
5-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide
CID 70741466
1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2,2-diphenylethanone
CID 110725800
6-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]-3,4-dihydro-2H-[1]benzothiolo[2,3-c]pyridin-1-one
CID 72919174
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(3-bromophenyl)methanone
CID 8751869
(3-bromophenyl)-[4-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone
CID 50799842

Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (3-bromophenyl)-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone (CID 110725789) is (3-bromophenyl)-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-bromophenyl)-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3-bromophenyl)-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone is O=C(c1cccc(Br)c1)N1CCC(c2ncc[nH]2)CC1.
What is the InChIKey of (3-bromophenyl)-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is OOSBJHHKSVBJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O/c16-13-3-1-2-12(10-13)15(20)19-8-4-11(5-9-19)14-17-6-7-18-14/h1-3,6-7,10-11H,4-5,8-9H2,(H,17,18).
What are the key properties of (3-bromophenyl)-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone?
(3-bromophenyl)-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 334.22 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 110725789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).