[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-(4-piperidin-1-ylphenyl)methanone

C22H30N4O — CID 91797183

IUPAC[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-(4-piperidin-1-ylphenyl)methanone
SMILESCc1nccn1CC1CCN(C(=O)c2ccc(N3CCCCC3)cc2)CC1
InChIInChI=1S/C22H30N4O/c1-18-23-11-16-26(18)17-19-9-14-25(15-10-19)22(27)20-5-7-21(8-6-20)24-12-3-2-4-13-24/h5-8,11,16,19H,2-4,9-10,12-15,17H2,1H3
InChIKeyGPMPCVODSPVIIQ-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.73
Rot. Bonds4

About [4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-(4-piperidin-1-ylphenyl)methanone

[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-(4-piperidin-1-ylphenyl)methanone (PubChem CID 91797183) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is [4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-(4-piperidin-1-ylphenyl)methanone.

Molecular Properties

Compound Name[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-(4-piperidin-1-ylphenyl)methanone
PubChem CID91797183
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-(4-piperidin-1-ylphenyl)methanone
SMILESCc1nccn1CC1CCN(C(=O)c2ccc(N3CCCCC3)cc2)CC1
InChIInChI=1S/C22H30N4O/c1-18-23-11-16-26(18)17-19-9-14-25(15-10-19)22(27)20-5-7-21(8-6-20)24-12-3-2-4-13-24/h5-8,11,16,19H,2-4,9-10,12-15,17H2,1H3
InChIKeyGPMPCVODSPVIIQ-UHFFFAOYSA-N
XLogP3.73
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carboxamide
CID 90494748
(4-piperidin-1-ylsulfonylphenyl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90492906
(4-chlorophenyl)-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90492756
(2,4-dimethyl-1,3-thiazol-5-yl)-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90493668
[4-[(2-methylimidazol-1-yl)methyl]phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 43920542
(4-piperidin-1-ylphenyl)-pyrrolidin-1-ylmethanone
CID 21366931
[4-(3-hydroxy-3-methylbutyl)phenyl]-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 56909287
4-[4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 90493122
4-[[1-(4-piperidin-1-ylbenzoyl)pyrrolidin-3-yl]methyl]benzoic acid
CID 166621031
[4-(dimethylamino)phenyl]-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90493255
1-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 90493104
(4-methoxyphenyl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90493400

Frequently Asked Questions

What is the IUPAC name of [4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-(4-piperidin-1-ylphenyl)methanone?
The IUPAC name of [4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-(4-piperidin-1-ylphenyl)methanone (CID 91797183) is [4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-(4-piperidin-1-ylphenyl)methanone.
What is the SMILES notation for [4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-(4-piperidin-1-ylphenyl)methanone?
The canonical SMILES for [4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-(4-piperidin-1-ylphenyl)methanone is Cc1nccn1CC1CCN(C(=O)c2ccc(N3CCCCC3)cc2)CC1.
What is the InChIKey of [4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-(4-piperidin-1-ylphenyl)methanone?
The InChIKey is GPMPCVODSPVIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-18-23-11-16-26(18)17-19-9-14-25(15-10-19)22(27)20-5-7-21(8-6-20)24-12-3-2-4-13-24/h5-8,11,16,19H,2-4,9-10,12-15,17H2,1H3.
What are the key properties of [4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-(4-piperidin-1-ylphenyl)methanone?
[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-(4-piperidin-1-ylphenyl)methanone has a molecular weight of 366.51 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-(4-piperidin-1-ylphenyl)methanone is sourced from PubChem (CID 91797183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).