(5R)-2,9-bis(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one

C20H24N4O — CID 97371955

IUPAC(5R)-2,9-bis(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C1N(Cc2ccncc2)CC[C@@]12CCCN(Cc1ccncc1)C2
InChIInChI=1S/C20H24N4O/c25-19-20(7-13-24(19)15-18-4-10-22-11-5-18)6-1-12-23(16-20)14-17-2-8-21-9-3-17/h2-5,8-11H,1,6-7,12-16H2/t20-/m1/s1
InChIKeyJOBJQFYINKXKOW-HXUWFJFHSA-N
MW336.44 g/mol
LogP2.49
Rot. Bonds4

About (5R)-2,9-bis(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one

(5R)-2,9-bis(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 97371955) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is (5R)-2,9-bis(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name(5R)-2,9-bis(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
PubChem CID97371955
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name(5R)-2,9-bis(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C1N(Cc2ccncc2)CC[C@@]12CCCN(Cc1ccncc1)C2
InChIInChI=1S/C20H24N4O/c25-19-20(7-13-24(19)15-18-4-10-22-11-5-18)6-1-12-23(16-20)14-17-2-8-21-9-3-17/h2-5,8-11H,1,6-7,12-16H2/t20-/m1/s1
InChIKeyJOBJQFYINKXKOW-HXUWFJFHSA-N
XLogP2.49
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-methylsulfonyl-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 131652791
(5S)-9-methylsulfonyl-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 97490225
N,N-dimethyl-1-oxo-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decane-9-carboxamide
CID 131649044
(5S)-7-(3-phenylpropyl)-2-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 42521731
N,N-dimethyl-1-oxo-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decane-9-sulfonamide
CID 155878552
(5S)-2-(cyclobutylmethyl)-9-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 98895604
(5S)-9-(2-methylsulfanylacetyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 98896990
(5R)-9-(2-methylsulfanylacetyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 98896992
(5S)-1-oxo-N-propan-2-yl-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decane-9-carboxamide
CID 97490201
9-(pyridazine-4-carbonyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 131641976
(5S)-2-(pyridin-3-ylmethyl)-9-(thiophen-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 97490108
9-[(4-fluorophenyl)methyl]-2-prop-2-enyl-2,9-diazaspiro[4.5]decan-1-one
CID 131650323

Frequently Asked Questions

What is the IUPAC name of (5R)-2,9-bis(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of (5R)-2,9-bis(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one (CID 97371955) is (5R)-2,9-bis(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for (5R)-2,9-bis(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for (5R)-2,9-bis(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one is O=C1N(Cc2ccncc2)CC[C@@]12CCCN(Cc1ccncc1)C2.
What is the InChIKey of (5R)-2,9-bis(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is JOBJQFYINKXKOW-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H24N4O/c25-19-20(7-13-24(19)15-18-4-10-22-11-5-18)6-1-12-23(16-20)14-17-2-8-21-9-3-17/h2-5,8-11H,1,6-7,12-16H2/t20-/m1/s1.
What are the key properties of (5R)-2,9-bis(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one?
(5R)-2,9-bis(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 336.44 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2,9-bis(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 97371955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).