1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]pent-3-en-1-one

C18H27N3O — CID 91940797

IUPAC1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]pent-3-en-1-one
SMILESCC=CCC(=O)N1CCC(c2nccn2CC2CCC2)CC1
InChIInChI=1S/C18H27N3O/c1-2-3-7-17(22)20-11-8-16(9-12-20)18-19-10-13-21(18)14-15-5-4-6-15/h2-3,10,13,15-16H,4-9,11-12,14H2,1H3
InChIKeyZEEORIFTIAQHLR-UHFFFAOYSA-N
MW301.43 g/mol
LogP3.36
Rot. Bonds5

About 1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]pent-3-en-1-one

1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]pent-3-en-1-one (PubChem CID 91940797) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is 1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]pent-3-en-1-one.

Molecular Properties

Compound Name1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]pent-3-en-1-one
PubChem CID91940797
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]pent-3-en-1-one
SMILESCC=CCC(=O)N1CCC(c2nccn2CC2CCC2)CC1
InChIInChI=1S/C18H27N3O/c1-2-3-7-17(22)20-11-8-16(9-12-20)18-19-10-13-21(18)14-15-5-4-6-15/h2-3,10,13,15-16H,4-9,11-12,14H2,1H3
InChIKeyZEEORIFTIAQHLR-UHFFFAOYSA-N
XLogP3.36
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]pent-3-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-1-[(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]pent-3-en-1-one
CID 97284839
2-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 70765708
(2R)-1-(azepan-1-yl)-2-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one
CID 97132360
1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 72863467
1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-[[(2S)-oxolan-2-yl]methoxy]ethanone
CID 97136574
1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 70735998
(2S)-1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-pyrazol-1-ylbutan-1-one
CID 97280081
[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(5-methoxyfuran-2-yl)methanone
CID 72884432
1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-(furan-2-yl)ethane-1,2-dione
CID 70735365
[2-[(3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-oxoethyl]urea
CID 97202256
1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)propan-1-one
CID 72872154
4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidine
CID 75485601

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]pent-3-en-1-one?
The IUPAC name of 1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]pent-3-en-1-one (CID 91940797) is 1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]pent-3-en-1-one.
What is the SMILES notation for 1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]pent-3-en-1-one?
The canonical SMILES for 1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]pent-3-en-1-one is CC=CCC(=O)N1CCC(c2nccn2CC2CCC2)CC1.
What is the InChIKey of 1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]pent-3-en-1-one?
The InChIKey is ZEEORIFTIAQHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-2-3-7-17(22)20-11-8-16(9-12-20)18-19-10-13-21(18)14-15-5-4-6-15/h2-3,10,13,15-16H,4-9,11-12,14H2,1H3.
What are the key properties of 1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]pent-3-en-1-one?
1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]pent-3-en-1-one has a molecular weight of 301.43 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]pent-3-en-1-one is sourced from PubChem (CID 91940797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).