1-(cyclopropylmethyl)-8-(pyridin-3-ylmethylamino)-1-azaspiro[4.5]decan-2-one

C19H27N3O — CID 97397449

IUPAC1-(cyclopropylmethyl)-8-(pyridin-3-ylmethylamino)-1-azaspiro[4.5]decan-2-one
SMILESO=C1CCC2(CCC(NCc3cccnc3)CC2)N1CC1CC1
InChIInChI=1S/C19H27N3O/c23-18-7-10-19(22(18)14-15-3-4-15)8-5-17(6-9-19)21-13-16-2-1-11-20-12-16/h1-2,11-12,15,17,21H,3-10,13-14H2
InChIKeyPEHJTZVRIRPVEI-UHFFFAOYSA-N
MW313.44 g/mol
LogP2.88
Rot. Bonds5

About 1-(cyclopropylmethyl)-8-(pyridin-3-ylmethylamino)-1-azaspiro[4.5]decan-2-one

1-(cyclopropylmethyl)-8-(pyridin-3-ylmethylamino)-1-azaspiro[4.5]decan-2-one (PubChem CID 97397449) has the molecular formula C19H27N3O and a molecular weight of 313.44 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-8-(pyridin-3-ylmethylamino)-1-azaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-8-(pyridin-3-ylmethylamino)-1-azaspiro[4.5]decan-2-one
PubChem CID97397449
Molecular FormulaC19H27N3O
Molecular Weight313.44 g/mol
Exact Mass313.22
IUPAC Name1-(cyclopropylmethyl)-8-(pyridin-3-ylmethylamino)-1-azaspiro[4.5]decan-2-one
SMILESO=C1CCC2(CCC(NCc3cccnc3)CC2)N1CC1CC1
InChIInChI=1S/C19H27N3O/c23-18-7-10-19(22(18)14-15-3-4-15)8-5-17(6-9-19)21-13-16-2-1-11-20-12-16/h1-2,11-12,15,17,21H,3-10,13-14H2
InChIKeyPEHJTZVRIRPVEI-UHFFFAOYSA-N
XLogP2.88
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropylmethyl)-8-[(3-methoxyphenyl)methylamino]-1-azaspiro[4.5]decan-2-one
CID 155875735
1-(cyclopropylmethyl)-8-[(3,4-difluorophenyl)methylamino]-1-azaspiro[4.5]decan-2-one
CID 155876706
1-(cyclopropylmethyl)-8-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97493791
1-N,4-N-bis(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
CID 139088209
1-benzyl-3-[1-(cyclopropylmethyl)-2-oxo-1-azaspiro[4.5]decan-8-yl]urea
CID 97494267
8-(cyclopropylmethylamino)-1-(pyridin-4-ylmethyl)-1-azaspiro[4.5]decan-2-one
CID 97397463
4,4-difluoro-N-(pyridin-3-ylmethyl)cyclohexan-1-amine
CID 126787190
2-[4-(pyridin-3-ylmethylamino)cyclohexyl]acetamide
CID 141409752
N-[1-(cyclopropylmethyl)-2-oxo-1-azaspiro[4.5]decan-8-yl]-2-(4-methylphenyl)acetamide
CID 97397454
1-N,3-N,5-N-tris(pyridin-3-ylmethyl)cyclohexane-1,3,5-triamine
CID 177421480
N-(pyridin-3-ylmethyl)thian-4-amine
CID 43394819
N-[1-(cyclopropylmethyl)-2-oxo-1-azaspiro[4.5]decan-8-yl]-5-methyl-1,2-oxazole-4-carboxamide
CID 97397451

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-8-(pyridin-3-ylmethylamino)-1-azaspiro[4.5]decan-2-one?
The IUPAC name of 1-(cyclopropylmethyl)-8-(pyridin-3-ylmethylamino)-1-azaspiro[4.5]decan-2-one (CID 97397449) is 1-(cyclopropylmethyl)-8-(pyridin-3-ylmethylamino)-1-azaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-(cyclopropylmethyl)-8-(pyridin-3-ylmethylamino)-1-azaspiro[4.5]decan-2-one?
The canonical SMILES for 1-(cyclopropylmethyl)-8-(pyridin-3-ylmethylamino)-1-azaspiro[4.5]decan-2-one is O=C1CCC2(CCC(NCc3cccnc3)CC2)N1CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-8-(pyridin-3-ylmethylamino)-1-azaspiro[4.5]decan-2-one?
The InChIKey is PEHJTZVRIRPVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c23-18-7-10-19(22(18)14-15-3-4-15)8-5-17(6-9-19)21-13-16-2-1-11-20-12-16/h1-2,11-12,15,17,21H,3-10,13-14H2.
What are the key properties of 1-(cyclopropylmethyl)-8-(pyridin-3-ylmethylamino)-1-azaspiro[4.5]decan-2-one?
1-(cyclopropylmethyl)-8-(pyridin-3-ylmethylamino)-1-azaspiro[4.5]decan-2-one has a molecular weight of 313.44 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-8-(pyridin-3-ylmethylamino)-1-azaspiro[4.5]decan-2-one is sourced from PubChem (CID 97397449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).