9-(cyclohexylmethyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)-1,9-diazaspiro[4.6]undecan-2-one

C22H37N3O2 — CID 131678839

IUPAC9-(cyclohexylmethyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)-1,9-diazaspiro[4.6]undecan-2-one
SMILESO=C(CN1C(=O)CCC12CCCN(CC1CCCCC1)CC2)N1CCCC1
InChIInChI=1S/C22H37N3O2/c26-20-9-11-22(25(20)18-21(27)24-14-4-5-15-24)10-6-13-23(16-12-22)17-19-7-2-1-3-8-19/h19H,1-18H2
InChIKeyDKLHIIGPXWOIPB-UHFFFAOYSA-N
MW375.56 g/mol
LogP3.04
Rot. Bonds4

About 9-(cyclohexylmethyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)-1,9-diazaspiro[4.6]undecan-2-one

9-(cyclohexylmethyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)-1,9-diazaspiro[4.6]undecan-2-one (PubChem CID 131678839) has the molecular formula C22H37N3O2 and a molecular weight of 375.56 g/mol. Its IUPAC name is 9-(cyclohexylmethyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)-1,9-diazaspiro[4.6]undecan-2-one.

Molecular Properties

Compound Name9-(cyclohexylmethyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)-1,9-diazaspiro[4.6]undecan-2-one
PubChem CID131678839
Molecular FormulaC22H37N3O2
Molecular Weight375.56 g/mol
Exact Mass375.29
IUPAC Name9-(cyclohexylmethyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)-1,9-diazaspiro[4.6]undecan-2-one
SMILESO=C(CN1C(=O)CCC12CCCN(CC1CCCCC1)CC2)N1CCCC1
InChIInChI=1S/C22H37N3O2/c26-20-9-11-22(25(20)18-21(27)24-14-4-5-15-24)10-6-13-23(16-12-22)17-19-7-2-1-3-8-19/h19H,1-18H2
InChIKeyDKLHIIGPXWOIPB-UHFFFAOYSA-N
XLogP3.04
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.56
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,9-bis(cyclohexylmethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 131681470
9-[(4-methoxyphenyl)methyl]-1-(2-oxo-2-pyrrolidin-1-ylethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 131681380
1-benzyl-9-(cyclopropylmethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 131681152
9-(cyclopropylmethyl)-1-[(4-methylphenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
CID 131681519
9-(cyclopropylmethyl)-1-[(4-fluorophenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
CID 131681092
2-[3-(cyclohexylmethyl)-3-azaspiro[5.5]undecan-9-yl]-1-pyrrolidin-1-ylethanone
CID 155872635
1-(cyclohexylmethyl)-9-[(4-methoxyphenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
CID 131681505
1-(cyclohexylmethyl)-9-(2,3-dihydro-1H-inden-5-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one;2,2,2-trifluoroacetic acid
CID 155868118
9-(cyclopropylmethyl)-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one;bis(2,2,2-trifluoroacetic acid)
CID 155847690
1-(cyclohexylmethyl)-9-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one;2,2,2-trifluoroacetic acid
CID 155866022
9-[(3,3-difluorocyclobutyl)methyl]-1-(2-fluoroethyl)-1,9-diazaspiro[4.6]undecan-2-one;2,2,2-trifluoroacetic acid
CID 155867470
1-benzyl-8-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97493904

Frequently Asked Questions

What is the IUPAC name of 9-(cyclohexylmethyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)-1,9-diazaspiro[4.6]undecan-2-one?
The IUPAC name of 9-(cyclohexylmethyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)-1,9-diazaspiro[4.6]undecan-2-one (CID 131678839) is 9-(cyclohexylmethyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)-1,9-diazaspiro[4.6]undecan-2-one.
What is the SMILES notation for 9-(cyclohexylmethyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)-1,9-diazaspiro[4.6]undecan-2-one?
The canonical SMILES for 9-(cyclohexylmethyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)-1,9-diazaspiro[4.6]undecan-2-one is O=C(CN1C(=O)CCC12CCCN(CC1CCCCC1)CC2)N1CCCC1.
What is the InChIKey of 9-(cyclohexylmethyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)-1,9-diazaspiro[4.6]undecan-2-one?
The InChIKey is DKLHIIGPXWOIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N3O2/c26-20-9-11-22(25(20)18-21(27)24-14-4-5-15-24)10-6-13-23(16-12-22)17-19-7-2-1-3-8-19/h19H,1-18H2.
What are the key properties of 9-(cyclohexylmethyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)-1,9-diazaspiro[4.6]undecan-2-one?
9-(cyclohexylmethyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)-1,9-diazaspiro[4.6]undecan-2-one has a molecular weight of 375.56 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(cyclohexylmethyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)-1,9-diazaspiro[4.6]undecan-2-one is sourced from PubChem (CID 131678839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).