cyclopentyl-[1'-(piperidin-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl]methanone

C26H39N3O — CID 134788099

IUPACcyclopentyl-[1'-(piperidin-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl]methanone
SMILESO=C(C1CCCC1)N1Cc2ccccc2CC2(CCCCN2CC2CCNCC2)C1
InChIInChI=1S/C26H39N3O/c30-25(22-7-1-2-8-22)28-19-24-10-4-3-9-23(24)17-26(20-28)13-5-6-16-29(26)18-21-11-14-27-15-12-21/h3-4,9-10,21-22,27H,1-2,5-8,11-20H2
InChIKeyUHRCCGVAOYCWAH-UHFFFAOYSA-N
MW409.62 g/mol
LogP3.99
Rot. Bonds3

About cyclopentyl-[1'-(piperidin-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl]methanone

cyclopentyl-[1'-(piperidin-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl]methanone (PubChem CID 134788099) has the molecular formula C26H39N3O and a molecular weight of 409.62 g/mol. Its IUPAC name is cyclopentyl-[1'-(piperidin-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[1'-(piperidin-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl]methanone
PubChem CID134788099
Molecular FormulaC26H39N3O
Molecular Weight409.62 g/mol
Exact Mass409.31
IUPAC Namecyclopentyl-[1'-(piperidin-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl]methanone
SMILESO=C(C1CCCC1)N1Cc2ccccc2CC2(CCCCN2CC2CCNCC2)C1
InChIInChI=1S/C26H39N3O/c30-25(22-7-1-2-8-22)28-19-24-10-4-3-9-23(24)17-26(20-28)13-5-6-16-29(26)18-21-11-14-27-15-12-21/h3-4,9-10,21-22,27H,1-2,5-8,11-20H2
InChIKeyUHRCCGVAOYCWAH-UHFFFAOYSA-N
XLogP3.99
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.62
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze cyclopentyl-[1'-(piperidin-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl]methanone 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

8-(1-Phenyl-cyclohexyl)-4-propyl-2,8-diaza-spiro[4.5]decan-1-one
CID 44414717
(3R)-N-[(2R)-1-cyclohexyl-3-methylbutan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 134347910
(3R)-7-fluoro-N-[(2S)-3-methyl-1-(4-methylpiperidin-1-yl)butan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 134355237
(2S)-N-tert-butyl-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-2-phenylacetamide
CID 11385982
(2R)-N-tert-butyl-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-2-phenylacetamide
CID 11408910
4-[4-(2-phenylethyl)piperazin-1-yl]-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)butanamide
CID 13656541
N-[4-(4-diphenylmethylpiperazin-1-yl)butyl]cyclohexancarboxamide
CID 44436724
N-[[2-[4-[[(3S,5R)-3,5-dimethylpiperazin-1-yl]methyl]phenyl]phenyl]methyl]-N,4-dimethylpentanamide
CID 44570451
8-(1-Phenylcyclohexyl)-4-propyl-2,8-diazaspiro[4.5]decan-1-one;hydrochloride
CID 45265820
[4-phenyl-1-(piperidin-1-ylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-piperidin-2-ylmethanone
CID 45488822
3,3-Diphenyl-1-[4-[phenyl(piperidin-4-yl)methyl]piperazin-1-yl]propan-1-one
CID 46233564
2-methyl-N-(2-methylpropyl)-1-[(2-phenylphenyl)methyl]azepane-2-carboxamide
CID 46947971

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[1'-(piperidin-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl]methanone?
The IUPAC name of cyclopentyl-[1'-(piperidin-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl]methanone (CID 134788099) is cyclopentyl-[1'-(piperidin-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl]methanone.
What is the SMILES notation for cyclopentyl-[1'-(piperidin-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl]methanone?
The canonical SMILES for cyclopentyl-[1'-(piperidin-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl]methanone is O=C(C1CCCC1)N1Cc2ccccc2CC2(CCCCN2CC2CCNCC2)C1.
What is the InChIKey of cyclopentyl-[1'-(piperidin-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl]methanone?
The InChIKey is UHRCCGVAOYCWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39N3O/c30-25(22-7-1-2-8-22)28-19-24-10-4-3-9-23(24)17-26(20-28)13-5-6-16-29(26)18-21-11-14-27-15-12-21/h3-4,9-10,21-22,27H,1-2,5-8,11-20H2.
What are the key properties of cyclopentyl-[1'-(piperidin-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl]methanone?
cyclopentyl-[1'-(piperidin-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl]methanone has a molecular weight of 409.62 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[1'-(piperidin-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl]methanone is sourced from PubChem (CID 134788099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).