(5S)-7-cyclopentyl-2-(4-methylpiperazine-1-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

C19H32N4O2 — CID 97146138

IUPAC(5S)-7-cyclopentyl-2-(4-methylpiperazine-1-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCN1CCN(C(=O)N2CC[C@@]3(CCCN(C4CCCC4)C3=O)C2)CC1
InChIInChI=1S/C19H32N4O2/c1-20-11-13-21(14-12-20)18(25)22-10-8-19(15-22)7-4-9-23(17(19)24)16-5-2-3-6-16/h16H,2-15H2,1H3/t19-/m0/s1
InChIKeyYHABUWVSLIKQQY-IBGZPJMESA-N
MW348.49 g/mol
LogP1.61
Rot. Bonds1

About (5S)-7-cyclopentyl-2-(4-methylpiperazine-1-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

(5S)-7-cyclopentyl-2-(4-methylpiperazine-1-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97146138) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is (5S)-7-cyclopentyl-2-(4-methylpiperazine-1-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5S)-7-cyclopentyl-2-(4-methylpiperazine-1-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97146138
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC Name(5S)-7-cyclopentyl-2-(4-methylpiperazine-1-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCN1CCN(C(=O)N2CC[C@@]3(CCCN(C4CCCC4)C3=O)C2)CC1
InChIInChI=1S/C19H32N4O2/c1-20-11-13-21(14-12-20)18(25)22-10-8-19(15-22)7-4-9-23(17(19)24)16-5-2-3-6-16/h16H,2-15H2,1H3/t19-/m0/s1
InChIKeyYHABUWVSLIKQQY-IBGZPJMESA-N
XLogP1.61
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5S)-7-cyclopentyl-2-(4-methylpiperazine-1-carbonyl)-2,7-diazaspiro[4.5]decan-6-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5S)-7-cyclopentyl-2-(4-methylpiperazine-1-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5S)-7-cyclopentyl-2-(4-methylpiperazine-1-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (CID 97146138) is (5S)-7-cyclopentyl-2-(4-methylpiperazine-1-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5S)-7-cyclopentyl-2-(4-methylpiperazine-1-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5S)-7-cyclopentyl-2-(4-methylpiperazine-1-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is CN1CCN(C(=O)N2CC[C@@]3(CCCN(C4CCCC4)C3=O)C2)CC1.
What is the InChIKey of (5S)-7-cyclopentyl-2-(4-methylpiperazine-1-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is YHABUWVSLIKQQY-IBGZPJMESA-N. The full InChI is InChI=1S/C19H32N4O2/c1-20-11-13-21(14-12-20)18(25)22-10-8-19(15-22)7-4-9-23(17(19)24)16-5-2-3-6-16/h16H,2-15H2,1H3/t19-/m0/s1.
What are the key properties of (5S)-7-cyclopentyl-2-(4-methylpiperazine-1-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
(5S)-7-cyclopentyl-2-(4-methylpiperazine-1-carbonyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 348.49 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-cyclopentyl-2-(4-methylpiperazine-1-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97146138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).