1-(4-tert-butylbenzoyl)-9-cyclopropyl-1,9-diazaspiro[4.5]decan-10-one

C22H30N2O2 — CID 162628244

IUPAC1-(4-tert-butylbenzoyl)-9-cyclopropyl-1,9-diazaspiro[4.5]decan-10-one
SMILESCC(C)(C)c1ccc(C(=O)N2CCCC23CCCN(C2CC2)C3=O)cc1
InChIInChI=1S/C22H30N2O2/c1-21(2,3)17-8-6-16(7-9-17)19(25)24-15-5-13-22(24)12-4-14-23(20(22)26)18-10-11-18/h6-9,18H,4-5,10-15H2,1-3H3
InChIKeyJYFMFSRJZRPDJO-UHFFFAOYSA-N
MW354.49 g/mol
LogP3.74
Rot. Bonds2

About 1-(4-tert-butylbenzoyl)-9-cyclopropyl-1,9-diazaspiro[4.5]decan-10-one

1-(4-tert-butylbenzoyl)-9-cyclopropyl-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 162628244) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is 1-(4-tert-butylbenzoyl)-9-cyclopropyl-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name1-(4-tert-butylbenzoyl)-9-cyclopropyl-1,9-diazaspiro[4.5]decan-10-one
PubChem CID162628244
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Name1-(4-tert-butylbenzoyl)-9-cyclopropyl-1,9-diazaspiro[4.5]decan-10-one
SMILESCC(C)(C)c1ccc(C(=O)N2CCCC23CCCN(C2CC2)C3=O)cc1
InChIInChI=1S/C22H30N2O2/c1-21(2,3)17-8-6-16(7-9-17)19(25)24-15-5-13-22(24)12-4-14-23(20(22)26)18-10-11-18/h6-9,18H,4-5,10-15H2,1-3H3
InChIKeyJYFMFSRJZRPDJO-UHFFFAOYSA-N
XLogP3.74
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorobenzoyl)-9-(4-hydroxycyclohexyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162637440
9-cyclopropyl-1-(4-propan-2-yloxybenzoyl)-1,9-diazaspiro[4.5]decan-10-one
CID 163307894
1-acetyl-9-cyclopropyl-1,9-diazaspiro[4.5]decan-10-one
CID 163307131
9-(4-hydroxycyclohexyl)-1-(3-methoxy-4-methylbenzoyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162629049
1-(2-chloro-5-methylbenzoyl)-9-cyclopropyl-1,9-diazaspiro[4.5]decan-10-one
CID 163317759
9-cyclopropyl-1-[3-(3-methoxyphenyl)benzoyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162637277
3-[9-(4-hydroxycyclohexyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carbonyl]benzonitrile
CID 162628283
9-(4-hydroxycyclohexyl)-1-(1-propan-2-ylpyrazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162635815
9-cyclopropyl-1-(1-methylindole-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162638778
9-(4-hydroxycyclohexyl)-1-(5-methyl-2H-triazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162631887
1-(2-chloro-6-fluorobenzoyl)-9-(4-hydroxycyclohexyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162625884
9-methyl-1-(4-phenylbenzoyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162635147

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylbenzoyl)-9-cyclopropyl-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 1-(4-tert-butylbenzoyl)-9-cyclopropyl-1,9-diazaspiro[4.5]decan-10-one (CID 162628244) is 1-(4-tert-butylbenzoyl)-9-cyclopropyl-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 1-(4-tert-butylbenzoyl)-9-cyclopropyl-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 1-(4-tert-butylbenzoyl)-9-cyclopropyl-1,9-diazaspiro[4.5]decan-10-one is CC(C)(C)c1ccc(C(=O)N2CCCC23CCCN(C2CC2)C3=O)cc1.
What is the InChIKey of 1-(4-tert-butylbenzoyl)-9-cyclopropyl-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is JYFMFSRJZRPDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-21(2,3)17-8-6-16(7-9-17)19(25)24-15-5-13-22(24)12-4-14-23(20(22)26)18-10-11-18/h6-9,18H,4-5,10-15H2,1-3H3.
What are the key properties of 1-(4-tert-butylbenzoyl)-9-cyclopropyl-1,9-diazaspiro[4.5]decan-10-one?
1-(4-tert-butylbenzoyl)-9-cyclopropyl-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 354.49 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylbenzoyl)-9-cyclopropyl-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 162628244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).