8-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one

C21H31N5O2 — CID 58334934

IUPAC8-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one
SMILESCN1CCC2(CCN(C(=O)C3CCN(Cc4ccnc(N)c4)CC3)CC2)C1=O
InChIInChI=1S/C21H31N5O2/c1-24-11-5-21(20(24)28)6-12-26(13-7-21)19(27)17-3-9-25(10-4-17)15-16-2-8-23-18(22)14-16/h2,8,14,17H,3-7,9-13,15H2,1H3,(H2,22,23)
InChIKeyWKRIEJGHUJMILC-UHFFFAOYSA-N
MW385.51 g/mol
LogP1.35
Rot. Bonds3

About 8-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one

8-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 58334934) has the molecular formula C21H31N5O2 and a molecular weight of 385.51 g/mol. Its IUPAC name is 8-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one
PubChem CID58334934
Molecular FormulaC21H31N5O2
Molecular Weight385.51 g/mol
Exact Mass385.25
IUPAC Name8-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one
SMILESCN1CCC2(CCN(C(=O)C3CCN(Cc4ccnc(N)c4)CC3)CC2)C1=O
InChIInChI=1S/C21H31N5O2/c1-24-11-5-21(20(24)28)6-12-26(13-7-21)19(27)17-3-9-25(10-4-17)15-16-2-8-23-18(22)14-16/h2,8,14,17H,3-7,9-13,15H2,1H3,(H2,22,23)
InChIKeyWKRIEJGHUJMILC-UHFFFAOYSA-N
XLogP1.35
TPSA82.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one (CID 58334934) is 8-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one is CN1CCC2(CCN(C(=O)C3CCN(Cc4ccnc(N)c4)CC3)CC2)C1=O.
What is the InChIKey of 8-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is WKRIEJGHUJMILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O2/c1-24-11-5-21(20(24)28)6-12-26(13-7-21)19(27)17-3-9-25(10-4-17)15-16-2-8-23-18(22)14-16/h2,8,14,17H,3-7,9-13,15H2,1H3,(H2,22,23).
What are the key properties of 8-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one?
8-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 385.51 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 58334934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).