9-cyclopropyl-1-(4-propan-2-yloxybenzoyl)-1,9-diazaspiro[4.5]decan-10-one

C21H28N2O3 — CID 163307894

IUPAC9-cyclopropyl-1-(4-propan-2-yloxybenzoyl)-1,9-diazaspiro[4.5]decan-10-one
SMILESCC(C)Oc1ccc(C(=O)N2CCCC23CCCN(C2CC2)C3=O)cc1
InChIInChI=1S/C21H28N2O3/c1-15(2)26-18-9-5-16(6-10-18)19(24)23-14-4-12-21(23)11-3-13-22(20(21)25)17-7-8-17/h5-6,9-10,15,17H,3-4,7-8,11-14H2,1-2H3
InChIKeyPACNTFAFUQGZRE-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.23
Rot. Bonds4

About 9-cyclopropyl-1-(4-propan-2-yloxybenzoyl)-1,9-diazaspiro[4.5]decan-10-one

9-cyclopropyl-1-(4-propan-2-yloxybenzoyl)-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 163307894) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is 9-cyclopropyl-1-(4-propan-2-yloxybenzoyl)-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name9-cyclopropyl-1-(4-propan-2-yloxybenzoyl)-1,9-diazaspiro[4.5]decan-10-one
PubChem CID163307894
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name9-cyclopropyl-1-(4-propan-2-yloxybenzoyl)-1,9-diazaspiro[4.5]decan-10-one
SMILESCC(C)Oc1ccc(C(=O)N2CCCC23CCCN(C2CC2)C3=O)cc1
InChIInChI=1S/C21H28N2O3/c1-15(2)26-18-9-5-16(6-10-18)19(24)23-14-4-12-21(23)11-3-13-22(20(21)25)17-7-8-17/h5-6,9-10,15,17H,3-4,7-8,11-14H2,1-2H3
InChIKeyPACNTFAFUQGZRE-UHFFFAOYSA-N
XLogP3.23
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-cyclopropyl-1-(4-propan-2-yloxybenzoyl)-1,9-diazaspiro[4.5]decan-10-one 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

1-(4-tert-butylbenzoyl)-9-cyclopropyl-1,9-diazaspiro[4.5]decan-10-one
CID 162628244
1-(4-chlorobenzoyl)-9-(4-hydroxycyclohexyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162637440
9-(4-hydroxycyclohexyl)-1-(3-methoxy-4-methylbenzoyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162629049
9-(4-hydroxycyclohexyl)-1-(1-propan-2-ylpyrazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162635815
1-acetyl-9-cyclopropyl-1,9-diazaspiro[4.5]decan-10-one
CID 163307131
1-(2-chloro-5-methylbenzoyl)-9-cyclopropyl-1,9-diazaspiro[4.5]decan-10-one
CID 163317759
3-[9-(4-hydroxycyclohexyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carbonyl]benzonitrile
CID 162628283
3-oxa-8-azabicyclo[3.2.1]octan-8-yl-(4-propan-2-yloxyphenyl)methanone
CID 71795929
1-oxa-4-azaspiro[4.5]decan-4-yl-(4-propan-2-yloxyphenyl)methanone
CID 46299696
9-cyclopropyl-1-(1-methylindole-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162638778
1-(4-methoxybenzoyl)-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162638072
3,3-dimethyl-4-(4-propan-2-yloxybenzoyl)piperazin-2-one
CID 16863828

Frequently Asked Questions

What is the IUPAC name of 9-cyclopropyl-1-(4-propan-2-yloxybenzoyl)-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 9-cyclopropyl-1-(4-propan-2-yloxybenzoyl)-1,9-diazaspiro[4.5]decan-10-one (CID 163307894) is 9-cyclopropyl-1-(4-propan-2-yloxybenzoyl)-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 9-cyclopropyl-1-(4-propan-2-yloxybenzoyl)-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 9-cyclopropyl-1-(4-propan-2-yloxybenzoyl)-1,9-diazaspiro[4.5]decan-10-one is CC(C)Oc1ccc(C(=O)N2CCCC23CCCN(C2CC2)C3=O)cc1.
What is the InChIKey of 9-cyclopropyl-1-(4-propan-2-yloxybenzoyl)-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is PACNTFAFUQGZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-15(2)26-18-9-5-16(6-10-18)19(24)23-14-4-12-21(23)11-3-13-22(20(21)25)17-7-8-17/h5-6,9-10,15,17H,3-4,7-8,11-14H2,1-2H3.
What are the key properties of 9-cyclopropyl-1-(4-propan-2-yloxybenzoyl)-1,9-diazaspiro[4.5]decan-10-one?
9-cyclopropyl-1-(4-propan-2-yloxybenzoyl)-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 356.47 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopropyl-1-(4-propan-2-yloxybenzoyl)-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 163307894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).