(5S)-7-cyclopentyl-2-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-2,7-diazaspiro[4.5]decan-6-one

C20H30N4O2 — CID 97151443

IUPAC(5S)-7-cyclopentyl-2-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCOCc1ncc(CN2CC[C@@]3(CCCN(C4CCCC4)C3=O)C2)cn1
InChIInChI=1S/C20H30N4O2/c1-26-14-18-21-11-16(12-22-18)13-23-10-8-20(15-23)7-4-9-24(19(20)25)17-5-2-3-6-17/h11-12,17H,2-10,13-15H2,1H3/t20-/m0/s1
InChIKeyUIRATKHHCHVYQD-FQEVSTJZSA-N
MW358.49 g/mol
LogP2.38
Rot. Bonds5

About (5S)-7-cyclopentyl-2-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-2,7-diazaspiro[4.5]decan-6-one

(5S)-7-cyclopentyl-2-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97151443) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is (5S)-7-cyclopentyl-2-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5S)-7-cyclopentyl-2-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97151443
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Name(5S)-7-cyclopentyl-2-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCOCc1ncc(CN2CC[C@@]3(CCCN(C4CCCC4)C3=O)C2)cn1
InChIInChI=1S/C20H30N4O2/c1-26-14-18-21-11-16(12-22-18)13-23-10-8-20(15-23)7-4-9-24(19(20)25)17-5-2-3-6-17/h11-12,17H,2-10,13-15H2,1H3/t20-/m0/s1
InChIKeyUIRATKHHCHVYQD-FQEVSTJZSA-N
XLogP2.38
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5S)-7-cyclopentyl-2-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-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-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5S)-7-cyclopentyl-2-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-2,7-diazaspiro[4.5]decan-6-one (CID 97151443) is (5S)-7-cyclopentyl-2-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5S)-7-cyclopentyl-2-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5S)-7-cyclopentyl-2-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-2,7-diazaspiro[4.5]decan-6-one is COCc1ncc(CN2CC[C@@]3(CCCN(C4CCCC4)C3=O)C2)cn1.
What is the InChIKey of (5S)-7-cyclopentyl-2-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is UIRATKHHCHVYQD-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-26-14-18-21-11-16(12-22-18)13-23-10-8-20(15-23)7-4-9-24(19(20)25)17-5-2-3-6-17/h11-12,17H,2-10,13-15H2,1H3/t20-/m0/s1.
What are the key properties of (5S)-7-cyclopentyl-2-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-2,7-diazaspiro[4.5]decan-6-one?
(5S)-7-cyclopentyl-2-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 358.49 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-cyclopentyl-2-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97151443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).