8-(cyclopent-3-ene-1-carbonyl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one

C20H25N3O2 — CID 97397081

IUPAC8-(cyclopent-3-ene-1-carbonyl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESO=C(C1CC=CC1)N1CCC2(CCC(=O)N2Cc2ccncc2)CC1
InChIInChI=1S/C20H25N3O2/c24-18-5-8-20(23(18)15-16-6-11-21-12-7-16)9-13-22(14-10-20)19(25)17-3-1-2-4-17/h1-2,6-7,11-12,17H,3-5,8-10,13-15H2
InChIKeyRSWQQRXVCGFUQD-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.53
Rot. Bonds3

About 8-(cyclopent-3-ene-1-carbonyl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one

8-(cyclopent-3-ene-1-carbonyl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 97397081) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 8-(cyclopent-3-ene-1-carbonyl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(cyclopent-3-ene-1-carbonyl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
PubChem CID97397081
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name8-(cyclopent-3-ene-1-carbonyl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESO=C(C1CC=CC1)N1CCC2(CCC(=O)N2Cc2ccncc2)CC1
InChIInChI=1S/C20H25N3O2/c24-18-5-8-20(23(18)15-16-6-11-21-12-7-16)9-13-22(14-10-20)19(25)17-3-1-2-4-17/h1-2,6-7,11-12,17H,3-5,8-10,13-15H2
InChIKeyRSWQQRXVCGFUQD-UHFFFAOYSA-N
XLogP2.53
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

8-(4-methylcyclohexanecarbonyl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 131684896
8-(oxolane-3-carbonyl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 131650236
1-(pyridin-4-ylmethyl)-8-(pyrrolidine-1-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97493882
8-(2,2-dimethylpropanoyl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 155873107
N-cyclopropyl-2-oxo-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.6]undecane-9-carboxamide
CID 134070992
1-[2-oxo-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decane-8-carbonyl]cyclopentane-1-carbonitrile
CID 131684846
8-(cyclopropylmethyl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97372690
8-(1H-pyrazol-4-ylmethyl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 155879173
(5R)-9-[(2S)-oxolane-2-carbonyl]-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
CID 97393244
1-benzyl-8-[(2R)-oxolane-2-carbonyl]-1,8-diazaspiro[4.5]decan-2-one
CID 97397082
8-(2,2-dimethylpropanoyl)-1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 155873980
8-(3,3-difluorocyclobutanecarbonyl)-1-[(3-fluorophenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one
CID 131691598

Frequently Asked Questions

What is the IUPAC name of 8-(cyclopent-3-ene-1-carbonyl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(cyclopent-3-ene-1-carbonyl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one (CID 97397081) is 8-(cyclopent-3-ene-1-carbonyl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(cyclopent-3-ene-1-carbonyl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(cyclopent-3-ene-1-carbonyl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one is O=C(C1CC=CC1)N1CCC2(CCC(=O)N2Cc2ccncc2)CC1.
What is the InChIKey of 8-(cyclopent-3-ene-1-carbonyl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is RSWQQRXVCGFUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c24-18-5-8-20(23(18)15-16-6-11-21-12-7-16)9-13-22(14-10-20)19(25)17-3-1-2-4-17/h1-2,6-7,11-12,17H,3-5,8-10,13-15H2.
What are the key properties of 8-(cyclopent-3-ene-1-carbonyl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one?
8-(cyclopent-3-ene-1-carbonyl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 339.44 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclopent-3-ene-1-carbonyl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97397081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).