8-(cyclopropylmethylamino)-1-(pyridin-4-ylmethyl)-1-azaspiro[4.5]decan-2-one

C19H27N3O — CID 97397463

IUPAC8-(cyclopropylmethylamino)-1-(pyridin-4-ylmethyl)-1-azaspiro[4.5]decan-2-one
SMILESO=C1CCC2(CCC(NCC3CC3)CC2)N1Cc1ccncc1
InChIInChI=1S/C19H27N3O/c23-18-5-10-19(22(18)14-16-6-11-20-12-7-16)8-3-17(4-9-19)21-13-15-1-2-15/h6-7,11-12,15,17,21H,1-5,8-10,13-14H2
InChIKeyHSMLKGWHWUDEKC-UHFFFAOYSA-N
MW313.44 g/mol
LogP2.88
Rot. Bonds5

About 8-(cyclopropylmethylamino)-1-(pyridin-4-ylmethyl)-1-azaspiro[4.5]decan-2-one

8-(cyclopropylmethylamino)-1-(pyridin-4-ylmethyl)-1-azaspiro[4.5]decan-2-one (PubChem CID 97397463) has the molecular formula C19H27N3O and a molecular weight of 313.44 g/mol. Its IUPAC name is 8-(cyclopropylmethylamino)-1-(pyridin-4-ylmethyl)-1-azaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(cyclopropylmethylamino)-1-(pyridin-4-ylmethyl)-1-azaspiro[4.5]decan-2-one
PubChem CID97397463
Molecular FormulaC19H27N3O
Molecular Weight313.44 g/mol
Exact Mass313.22
IUPAC Name8-(cyclopropylmethylamino)-1-(pyridin-4-ylmethyl)-1-azaspiro[4.5]decan-2-one
SMILESO=C1CCC2(CCC(NCC3CC3)CC2)N1Cc1ccncc1
InChIInChI=1S/C19H27N3O/c23-18-5-10-19(22(18)14-16-6-11-20-12-7-16)8-3-17(4-9-19)21-13-15-1-2-15/h6-7,11-12,15,17,21H,1-5,8-10,13-14H2
InChIKeyHSMLKGWHWUDEKC-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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Frequently Asked Questions

What is the IUPAC name of 8-(cyclopropylmethylamino)-1-(pyridin-4-ylmethyl)-1-azaspiro[4.5]decan-2-one?
The IUPAC name of 8-(cyclopropylmethylamino)-1-(pyridin-4-ylmethyl)-1-azaspiro[4.5]decan-2-one (CID 97397463) is 8-(cyclopropylmethylamino)-1-(pyridin-4-ylmethyl)-1-azaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(cyclopropylmethylamino)-1-(pyridin-4-ylmethyl)-1-azaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(cyclopropylmethylamino)-1-(pyridin-4-ylmethyl)-1-azaspiro[4.5]decan-2-one is O=C1CCC2(CCC(NCC3CC3)CC2)N1Cc1ccncc1.
What is the InChIKey of 8-(cyclopropylmethylamino)-1-(pyridin-4-ylmethyl)-1-azaspiro[4.5]decan-2-one?
The InChIKey is HSMLKGWHWUDEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c23-18-5-10-19(22(18)14-16-6-11-20-12-7-16)8-3-17(4-9-19)21-13-15-1-2-15/h6-7,11-12,15,17,21H,1-5,8-10,13-14H2.
What are the key properties of 8-(cyclopropylmethylamino)-1-(pyridin-4-ylmethyl)-1-azaspiro[4.5]decan-2-one?
8-(cyclopropylmethylamino)-1-(pyridin-4-ylmethyl)-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 8-(cyclopropylmethylamino)-1-(pyridin-4-ylmethyl)-1-azaspiro[4.5]decan-2-one is sourced from PubChem (CID 97397463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).