8-(cyclopropylmethyl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one

C18H25N3O — CID 97372690

IUPAC8-(cyclopropylmethyl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESO=C1CCC2(CCN(CC3CC3)CC2)N1Cc1ccncc1
InChIInChI=1S/C18H25N3O/c22-17-3-6-18(21(17)14-16-4-9-19-10-5-16)7-11-20(12-8-18)13-15-1-2-15/h4-5,9-10,15H,1-3,6-8,11-14H2
InChIKeyJELRPOGRFJPOIK-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.45
Rot. Bonds4

About 8-(cyclopropylmethyl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one

8-(cyclopropylmethyl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 97372690) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 8-(cyclopropylmethyl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(cyclopropylmethyl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
PubChem CID97372690
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name8-(cyclopropylmethyl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESO=C1CCC2(CCN(CC3CC3)CC2)N1Cc1ccncc1
InChIInChI=1S/C18H25N3O/c22-17-3-6-18(21(17)14-16-4-9-19-10-5-16)7-11-20(12-8-18)13-15-1-2-15/h4-5,9-10,15H,1-3,6-8,11-14H2
InChIKeyJELRPOGRFJPOIK-UHFFFAOYSA-N
XLogP2.45
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-8-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97493904
9-(cyclopropylmethyl)-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one;bis(2,2,2-trifluoroacetic acid)
CID 155847690
8-(oxan-4-ylmethyl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one;bis(2,2,2-trifluoroacetic acid)
CID 155864093
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
8-(cyclopropylmethylamino)-1-(pyridin-4-ylmethyl)-1-azaspiro[4.5]decan-2-one
CID 97397463
8-(1H-pyrazol-4-ylmethyl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 155879173
1-(pyridin-4-ylmethyl)-8-(pyrrolidine-1-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97493882
8-(cyclopent-3-ene-1-carbonyl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97397081
8-(4-methylcyclohexanecarbonyl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 131684896
8-(2,2-dimethylpropanoyl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 155873107

Frequently Asked Questions

What is the IUPAC name of 8-(cyclopropylmethyl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(cyclopropylmethyl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one (CID 97372690) is 8-(cyclopropylmethyl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(cyclopropylmethyl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(cyclopropylmethyl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one is O=C1CCC2(CCN(CC3CC3)CC2)N1Cc1ccncc1.
What is the InChIKey of 8-(cyclopropylmethyl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is JELRPOGRFJPOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c22-17-3-6-18(21(17)14-16-4-9-19-10-5-16)7-11-20(12-8-18)13-15-1-2-15/h4-5,9-10,15H,1-3,6-8,11-14H2.
What are the key properties of 8-(cyclopropylmethyl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one?
8-(cyclopropylmethyl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 299.42 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclopropylmethyl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97372690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).