1,9-bis(cyclohexylmethyl)-1,9-diazaspiro[4.6]undecan-2-one

C23H40N2O — CID 131681470

IUPAC1,9-bis(cyclohexylmethyl)-1,9-diazaspiro[4.6]undecan-2-one
SMILESO=C1CCC2(CCCN(CC3CCCCC3)CC2)N1CC1CCCCC1
InChIInChI=1S/C23H40N2O/c26-22-12-14-23(25(22)19-21-10-5-2-6-11-21)13-7-16-24(17-15-23)18-20-8-3-1-4-9-20/h20-21H,1-19H2
InChIKeySCJXRRBOIPFENT-UHFFFAOYSA-N
MW360.59 g/mol
LogP4.99
Rot. Bonds4

About 1,9-bis(cyclohexylmethyl)-1,9-diazaspiro[4.6]undecan-2-one

1,9-bis(cyclohexylmethyl)-1,9-diazaspiro[4.6]undecan-2-one (PubChem CID 131681470) has the molecular formula C23H40N2O and a molecular weight of 360.59 g/mol. Its IUPAC name is 1,9-bis(cyclohexylmethyl)-1,9-diazaspiro[4.6]undecan-2-one.

Molecular Properties

Compound Name1,9-bis(cyclohexylmethyl)-1,9-diazaspiro[4.6]undecan-2-one
PubChem CID131681470
Molecular FormulaC23H40N2O
Molecular Weight360.59 g/mol
Exact Mass360.31
IUPAC Name1,9-bis(cyclohexylmethyl)-1,9-diazaspiro[4.6]undecan-2-one
SMILESO=C1CCC2(CCCN(CC3CCCCC3)CC2)N1CC1CCCCC1
InChIInChI=1S/C23H40N2O/c26-22-12-14-23(25(22)19-21-10-5-2-6-11-21)13-7-16-24(17-15-23)18-20-8-3-1-4-9-20/h20-21H,1-19H2
InChIKeySCJXRRBOIPFENT-UHFFFAOYSA-N
XLogP4.99
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.59
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-(cyclohexylmethyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 131678839
1-(cyclohexylmethyl)-9-[(4-methoxyphenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
CID 131681505
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
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
(5R)-1-(cyclopropylmethyl)-9-[(3-methylimidazol-4-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
CID 97485001
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-(cyclopropylmethyl)-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one;bis(2,2,2-trifluoroacetic acid)
CID 155847690
1-benzyl-8-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97493904
9-[(3,3-difluorocyclobutyl)methyl]-1-(2-fluoroethyl)-1,9-diazaspiro[4.6]undecan-2-one;2,2,2-trifluoroacetic acid
CID 155867470
8-(cyclopropylmethyl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97372690

Frequently Asked Questions

What is the IUPAC name of 1,9-bis(cyclohexylmethyl)-1,9-diazaspiro[4.6]undecan-2-one?
The IUPAC name of 1,9-bis(cyclohexylmethyl)-1,9-diazaspiro[4.6]undecan-2-one (CID 131681470) is 1,9-bis(cyclohexylmethyl)-1,9-diazaspiro[4.6]undecan-2-one.
What is the SMILES notation for 1,9-bis(cyclohexylmethyl)-1,9-diazaspiro[4.6]undecan-2-one?
The canonical SMILES for 1,9-bis(cyclohexylmethyl)-1,9-diazaspiro[4.6]undecan-2-one is O=C1CCC2(CCCN(CC3CCCCC3)CC2)N1CC1CCCCC1.
What is the InChIKey of 1,9-bis(cyclohexylmethyl)-1,9-diazaspiro[4.6]undecan-2-one?
The InChIKey is SCJXRRBOIPFENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40N2O/c26-22-12-14-23(25(22)19-21-10-5-2-6-11-21)13-7-16-24(17-15-23)18-20-8-3-1-4-9-20/h20-21H,1-19H2.
What are the key properties of 1,9-bis(cyclohexylmethyl)-1,9-diazaspiro[4.6]undecan-2-one?
1,9-bis(cyclohexylmethyl)-1,9-diazaspiro[4.6]undecan-2-one has a molecular weight of 360.59 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9-bis(cyclohexylmethyl)-1,9-diazaspiro[4.6]undecan-2-one is sourced from PubChem (CID 131681470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).