[1-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-pyridin-2-ylmethanone

C26H30N4O2 — CID 45219214

IUPAC[1-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-pyridin-2-ylmethanone
SMILESCc1ccc(C2(c3noc(CN4CCCC(C(=O)c5ccccn5)C4)n3)CCCC2)cc1
InChIInChI=1S/C26H30N4O2/c1-19-9-11-21(12-10-19)26(13-3-4-14-26)25-28-23(32-29-25)18-30-16-6-7-20(17-30)24(31)22-8-2-5-15-27-22/h2,5,8-12,15,20H,3-4,6-7,13-14,16-18H2,1H3
InChIKeyGSEFFZVRULHOEJ-UHFFFAOYSA-N
MW430.55 g/mol
LogP4.73
Rot. Bonds6

About [1-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-pyridin-2-ylmethanone

[1-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-pyridin-2-ylmethanone (PubChem CID 45219214) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is [1-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[1-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-pyridin-2-ylmethanone
PubChem CID45219214
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC Name[1-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-pyridin-2-ylmethanone
SMILESCc1ccc(C2(c3noc(CN4CCCC(C(=O)c5ccccn5)C4)n3)CCCC2)cc1
InChIInChI=1S/C26H30N4O2/c1-19-9-11-21(12-10-19)26(13-3-4-14-26)25-28-23(32-29-25)18-30-16-6-7-20(17-30)24(31)22-8-2-5-15-27-22/h2,5,8-12,15,20H,3-4,6-7,13-14,16-18H2,1H3
InChIKeyGSEFFZVRULHOEJ-UHFFFAOYSA-N
XLogP4.73
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [1-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-pyridin-2-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

(3S)-N,N-diethyl-1-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 26316206
[(3S)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]-pyridin-2-ylmethanone
CID 26408898
[(3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]-pyridin-2-ylmethanone
CID 99959880
3-[1-(4-methylphenyl)cyclopentyl]-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 29085110
3-[1-(4-methylphenyl)cyclopentyl]-5-[[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 42517827
3-[1-(4-methylphenyl)cyclopentyl]-5-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 29257322
pyridin-2-yl-[1-[[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]methanone
CID 45182952
[(3S)-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-yl]-pyridin-2-ylmethanone
CID 99929635
[(3S)-1-[2-(5-methylpyrazol-1-yl)ethyl]piperidin-3-yl]-pyridin-2-ylmethanone
CID 124852139
[(3S)-1-[(5-ethyl-2-pyridinyl)methyl]piperidin-3-yl]-pyridin-2-ylmethanone
CID 99926517
[1-[3-(4-methylpyrazol-1-yl)propyl]piperidin-3-yl]-pyridin-2-ylmethanone
CID 91829986
[(3S)-1-[3-(4-methylpyrazol-1-yl)propyl]piperidin-3-yl]-pyridin-2-ylmethanone
CID 124757098

Frequently Asked Questions

What is the IUPAC name of [1-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-pyridin-2-ylmethanone?
The IUPAC name of [1-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-pyridin-2-ylmethanone (CID 45219214) is [1-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [1-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [1-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-pyridin-2-ylmethanone is Cc1ccc(C2(c3noc(CN4CCCC(C(=O)c5ccccn5)C4)n3)CCCC2)cc1.
What is the InChIKey of [1-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-pyridin-2-ylmethanone?
The InChIKey is GSEFFZVRULHOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2/c1-19-9-11-21(12-10-19)26(13-3-4-14-26)25-28-23(32-29-25)18-30-16-6-7-20(17-30)24(31)22-8-2-5-15-27-22/h2,5,8-12,15,20H,3-4,6-7,13-14,16-18H2,1H3.
What are the key properties of [1-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-pyridin-2-ylmethanone?
[1-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-pyridin-2-ylmethanone has a molecular weight of 430.55 g/mol, XLogP of 4.73, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 45219214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).