3-cyclopentyl-1-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one

C20H33N3O — CID 90492840

IUPAC3-cyclopentyl-1-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one
SMILESCC(C)c1nccn1CC1CCN(C(=O)CCC2CCCC2)CC1
InChIInChI=1S/C20H33N3O/c1-16(2)20-21-11-14-23(20)15-18-9-12-22(13-10-18)19(24)8-7-17-5-3-4-6-17/h11,14,16-18H,3-10,12-13,15H2,1-2H3
InChIKeyHEQHPCFIRAFPNU-UHFFFAOYSA-N
MW331.50 g/mol
LogP4.22
Rot. Bonds6

About 3-cyclopentyl-1-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one

3-cyclopentyl-1-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one (PubChem CID 90492840) has the molecular formula C20H33N3O and a molecular weight of 331.50 g/mol. Its IUPAC name is 3-cyclopentyl-1-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclopentyl-1-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one
PubChem CID90492840
Molecular FormulaC20H33N3O
Molecular Weight331.50 g/mol
Exact Mass331.26
IUPAC Name3-cyclopentyl-1-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one
SMILESCC(C)c1nccn1CC1CCN(C(=O)CCC2CCCC2)CC1
InChIInChI=1S/C20H33N3O/c1-16(2)20-21-11-14-23(20)15-18-9-12-22(13-10-18)19(24)8-7-17-5-3-4-6-17/h11,14,16-18H,3-10,12-13,15H2,1-2H3
InChIKeyHEQHPCFIRAFPNU-UHFFFAOYSA-N
XLogP4.22
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.50
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]butan-1-one
CID 90492830
3-cyclohexyl-1-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]propan-1-one
CID 90561013
1-phenyl-4-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]butane-1,4-dione
CID 90492814
1-piperidin-1-yl-2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 90494161
(3,5-dichlorophenyl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90492826
3-cyclohexyl-1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]propan-1-one;hydrochloride
CID 45284187
5-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 90493357
1-cyclohexylsulfonyl-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine
CID 90494392
(1-methylsulfonylpiperidin-4-yl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 56724041
(4-methoxyphenyl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90493400
N-(4-fluorophenyl)-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine-1-carboxamide
CID 90494299
(5-bromofuran-2-yl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90493421

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one?
The IUPAC name of 3-cyclopentyl-1-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one (CID 90492840) is 3-cyclopentyl-1-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-cyclopentyl-1-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-cyclopentyl-1-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one is CC(C)c1nccn1CC1CCN(C(=O)CCC2CCCC2)CC1.
What is the InChIKey of 3-cyclopentyl-1-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one?
The InChIKey is HEQHPCFIRAFPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O/c1-16(2)20-21-11-14-23(20)15-18-9-12-22(13-10-18)19(24)8-7-17-5-3-4-6-17/h11,14,16-18H,3-10,12-13,15H2,1-2H3.
What are the key properties of 3-cyclopentyl-1-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one?
3-cyclopentyl-1-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one has a molecular weight of 331.50 g/mol, XLogP of 4.22, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 90492840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).