2-cyclohexyl-9-(pyrrolidine-1-carbonyl)-2,9-diazaspiro[4.5]decan-1-one

C19H31N3O2 — CID 11631360

IUPAC2-cyclohexyl-9-(pyrrolidine-1-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C(N1CCCC1)N1CCCC2(CCN(C3CCCCC3)C2=O)C1
InChIInChI=1S/C19H31N3O2/c23-17-19(10-14-22(17)16-7-2-1-3-8-16)9-6-13-21(15-19)18(24)20-11-4-5-12-20/h16H,1-15H2
InChIKeyYWXVQOKCLQKLOH-UHFFFAOYSA-N
MW333.48 g/mol
LogP2.85
Rot. Bonds1

About 2-cyclohexyl-9-(pyrrolidine-1-carbonyl)-2,9-diazaspiro[4.5]decan-1-one

2-cyclohexyl-9-(pyrrolidine-1-carbonyl)-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 11631360) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 2-cyclohexyl-9-(pyrrolidine-1-carbonyl)-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-cyclohexyl-9-(pyrrolidine-1-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
PubChem CID11631360
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name2-cyclohexyl-9-(pyrrolidine-1-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C(N1CCCC1)N1CCCC2(CCN(C3CCCCC3)C2=O)C1
InChIInChI=1S/C19H31N3O2/c23-17-19(10-14-22(17)16-7-2-1-3-8-16)9-6-13-21(15-19)18(24)20-11-4-5-12-20/h16H,1-15H2
InChIKeyYWXVQOKCLQKLOH-UHFFFAOYSA-N
XLogP2.85
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

13-acetyl-3-ethyl-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-carboxamide
CID 118738723
7-Cyclopentyl-2-[(4-methylpiperazin-1-yl)carbonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72918288
7-Methyl-2-(1-pyrrolidinylcarbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72891357
13-ethyl-4-oxo-N-propan-2-yl-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-carboxamide
CID 134079476
2-Cyclohexyl-7-(piperidin-1-ylcarbonyl)-2,7-diazaspiro[4.5]decan-1-one
CID 11695946
9-Cyclohexyl-2-methyl-2,9-diazaspiro[4.5]decan-1-one
CID 58653469
2,7-Di(propan-2-yl)-2,7-diazaspiro[4.5]decan-6-one;2,9-di(propan-2-yl)-2,9-diazaspiro[4.5]decan-1-one
CID 159903033
9-Cyclohexyl-2-methyl-2,9-diazaspiro[4.5]decan-1-one;methane
CID 160360025
7-Isopropyl-2-[(4-methylpiperazin-1-yl)carbonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72860001
7-Cyclohexyl-2-[(4-methylpiperazin-1-yl)carbonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72865312
7-Cyclohexyl-N,N-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
CID 72873129
7-Cyclohexyl-2-(cyclopentylcarbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72921232

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-9-(pyrrolidine-1-carbonyl)-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 2-cyclohexyl-9-(pyrrolidine-1-carbonyl)-2,9-diazaspiro[4.5]decan-1-one (CID 11631360) is 2-cyclohexyl-9-(pyrrolidine-1-carbonyl)-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-cyclohexyl-9-(pyrrolidine-1-carbonyl)-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 2-cyclohexyl-9-(pyrrolidine-1-carbonyl)-2,9-diazaspiro[4.5]decan-1-one is O=C(N1CCCC1)N1CCCC2(CCN(C3CCCCC3)C2=O)C1.
What is the InChIKey of 2-cyclohexyl-9-(pyrrolidine-1-carbonyl)-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is YWXVQOKCLQKLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c23-17-19(10-14-22(17)16-7-2-1-3-8-16)9-6-13-21(15-19)18(24)20-11-4-5-12-20/h16H,1-15H2.
What are the key properties of 2-cyclohexyl-9-(pyrrolidine-1-carbonyl)-2,9-diazaspiro[4.5]decan-1-one?
2-cyclohexyl-9-(pyrrolidine-1-carbonyl)-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 333.48 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-9-(pyrrolidine-1-carbonyl)-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 11631360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).