1-(cyclopropylmethyl)-8-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one

C17H23N3O — CID 97493791

IUPAC1-(cyclopropylmethyl)-8-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
SMILESO=C1CCC2(CCN(c3cccnc3)CC2)N1CC1CC1
InChIInChI=1S/C17H23N3O/c21-16-5-6-17(20(16)13-14-3-4-14)7-10-19(11-8-17)15-2-1-9-18-12-15/h1-2,9,12,14H,3-8,10-11,13H2
InChIKeyCFMFCMKCEFYSCJ-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.45
Rot. Bonds3

About 1-(cyclopropylmethyl)-8-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one

1-(cyclopropylmethyl)-8-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 97493791) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-8-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-8-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
PubChem CID97493791
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name1-(cyclopropylmethyl)-8-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
SMILESO=C1CCC2(CCN(c3cccnc3)CC2)N1CC1CC1
InChIInChI=1S/C17H23N3O/c21-16-5-6-17(20(16)13-14-3-4-14)7-10-19(11-8-17)15-2-1-9-18-12-15/h1-2,9,12,14H,3-8,10-11,13H2
InChIKeyCFMFCMKCEFYSCJ-UHFFFAOYSA-N
XLogP2.45
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropylmethyl)-8-(pyridin-3-ylmethylamino)-1-azaspiro[4.5]decan-2-one
CID 97397449
8-(cyclopropylmethyl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97372690
1-benzyl-8-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97493904
1-(cyclopropylmethyl)-8-(1-methylpyrazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97493786
1,9-bis(cyclohexylmethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 131681470
(5R)-1-(cyclopropylmethyl)-9-[(3-methylimidazol-4-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
CID 97485001
1-benzyl-9-(cyclopropylmethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 131681152
(5S)-6-acetyl-2-(cyclopropylmethyl)-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one
CID 97373465
8-(2,2-dimethylpropanoyl)-1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 155873980
1-ethyl-8-(pyridine-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97493701
9-(cyclopropylmethyl)-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one;bis(2,2,2-trifluoroacetic acid)
CID 155847690
(5S)-9-(5-fluoropyrimidin-2-yl)-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 97485087

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-8-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 1-(cyclopropylmethyl)-8-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one (CID 97493791) is 1-(cyclopropylmethyl)-8-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-(cyclopropylmethyl)-8-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-(cyclopropylmethyl)-8-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one is O=C1CCC2(CCN(c3cccnc3)CC2)N1CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-8-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is CFMFCMKCEFYSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c21-16-5-6-17(20(16)13-14-3-4-14)7-10-19(11-8-17)15-2-1-9-18-12-15/h1-2,9,12,14H,3-8,10-11,13H2.
What are the key properties of 1-(cyclopropylmethyl)-8-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one?
1-(cyclopropylmethyl)-8-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 285.39 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-8-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97493791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).