[2-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone

C23H32N4O2 — CID 25274515

IUPAC[2-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone
SMILESCCn1ccnc1CN1CCC(Oc2ccccc2C(=O)N2CCCCC2)CC1
InChIInChI=1S/C23H32N4O2/c1-2-26-17-12-24-22(26)18-25-15-10-19(11-16-25)29-21-9-5-4-8-20(21)23(28)27-13-6-3-7-14-27/h4-5,8-9,12,17,19H,2-3,6-7,10-11,13-16,18H2,1H3
InChIKeyUGCYSJCVFDCGOW-UHFFFAOYSA-N
MW396.54 g/mol
LogP3.57
Rot. Bonds6

About [2-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone

[2-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone (PubChem CID 25274515) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is [2-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone
PubChem CID25274515
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC Name[2-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone
SMILESCCn1ccnc1CN1CCC(Oc2ccccc2C(=O)N2CCCCC2)CC1
InChIInChI=1S/C23H32N4O2/c1-2-26-17-12-24-22(26)18-25-15-10-19(11-16-25)29-21-9-5-4-8-20(21)23(28)27-13-6-3-7-14-27/h4-5,8-9,12,17,19H,2-3,6-7,10-11,13-16,18H2,1H3
InChIKeyUGCYSJCVFDCGOW-UHFFFAOYSA-N
XLogP3.57
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone 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

[2-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 25385116
[2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone
CID 42150850
(4-ethylpiperazin-1-yl)-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone
CID 42291359
[2-[1-(cyclopentylmethyl)piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 26405720
[2-[1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone
CID 72929961
[2-[1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone
CID 25293300
[2-[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 56712666
[2-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 42191016
piperidin-1-yl-[2-[1-(1,3-thiazol-2-yl)piperidin-4-yl]oxyphenyl]methanone
CID 72846007
piperidin-1-yl-[2-[1-[(2S)-1-pyridin-2-ylpropan-2-yl]piperidin-4-yl]oxyphenyl]methanone
CID 26395074
[4-(methoxymethyl)piperidin-1-yl]-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone
CID 42240600
[2-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 25381931

Frequently Asked Questions

What is the IUPAC name of [2-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone?
The IUPAC name of [2-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone (CID 25274515) is [2-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone is CCn1ccnc1CN1CCC(Oc2ccccc2C(=O)N2CCCCC2)CC1.
What is the InChIKey of [2-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone?
The InChIKey is UGCYSJCVFDCGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2/c1-2-26-17-12-24-22(26)18-25-15-10-19(11-16-25)29-21-9-5-4-8-20(21)23(28)27-13-6-3-7-14-27/h4-5,8-9,12,17,19H,2-3,6-7,10-11,13-16,18H2,1H3.
What are the key properties of [2-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone?
[2-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone has a molecular weight of 396.54 g/mol, XLogP of 3.57, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 25274515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).