(5S)-7-(3-phenylpropyl)-2-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one

C23H29N3O — CID 42521731

IUPAC(5S)-7-(3-phenylpropyl)-2-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C1N(CCCc2ccccc2)CCC[C@@]12CCN(Cc1ccncc1)C2
InChIInChI=1S/C23H29N3O/c27-22-23(12-17-25(19-23)18-21-9-13-24-14-10-21)11-5-16-26(22)15-4-8-20-6-2-1-3-7-20/h1-3,6-7,9-10,13-14H,4-5,8,11-12,15-19H2/t23-/m0/s1
InChIKeyOGCMXKFINKNLIW-QHCPKHFHSA-N
MW363.50 g/mol
LogP3.53
Rot. Bonds6

About (5S)-7-(3-phenylpropyl)-2-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one

(5S)-7-(3-phenylpropyl)-2-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 42521731) has the molecular formula C23H29N3O and a molecular weight of 363.50 g/mol. Its IUPAC name is (5S)-7-(3-phenylpropyl)-2-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5S)-7-(3-phenylpropyl)-2-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID42521731
Molecular FormulaC23H29N3O
Molecular Weight363.50 g/mol
Exact Mass363.23
IUPAC Name(5S)-7-(3-phenylpropyl)-2-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C1N(CCCc2ccccc2)CCC[C@@]12CCN(Cc1ccncc1)C2
InChIInChI=1S/C23H29N3O/c27-22-23(12-17-25(19-23)18-21-9-13-24-14-10-21)11-5-16-26(22)15-4-8-20-6-2-1-3-7-20/h1-3,6-7,9-10,13-14H,4-5,8,11-12,15-19H2/t23-/m0/s1
InChIKeyOGCMXKFINKNLIW-QHCPKHFHSA-N
XLogP3.53
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5R)-2,9-bis(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 97371955
(3R)-3-(3-phenylpropyl)-1-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid
CID 95402837
2-[(3-benzylimidazol-4-yl)methyl]-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72843018
(5S)-7-(3-phenylpropyl)-2-(2-pyridin-2-ylacetyl)-2,7-diazaspiro[4.5]decan-6-one
CID 42197713
(5S)-2-(cyclopentanecarbonyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decan-6-one
CID 25456250
2-(2-methoxyethyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 176502457
8-(3-phenylpropyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one
CID 91578541
2-(furan-3-carbonyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45188525
2-(1-oxidopyridin-1-ium-4-carbonyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45181888
2-(4-methyl-1,3-oxazole-5-carbonyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45179648
(5S)-2-(2-methoxyethyl)-9-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 97489875
2-(2-hydroxyacetyl)-7-(2-phenylethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 119069763

Frequently Asked Questions

What is the IUPAC name of (5S)-7-(3-phenylpropyl)-2-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5S)-7-(3-phenylpropyl)-2-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one (CID 42521731) is (5S)-7-(3-phenylpropyl)-2-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5S)-7-(3-phenylpropyl)-2-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5S)-7-(3-phenylpropyl)-2-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one is O=C1N(CCCc2ccccc2)CCC[C@@]12CCN(Cc1ccncc1)C2.
What is the InChIKey of (5S)-7-(3-phenylpropyl)-2-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is OGCMXKFINKNLIW-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H29N3O/c27-22-23(12-17-25(19-23)18-21-9-13-24-14-10-21)11-5-16-26(22)15-4-8-20-6-2-1-3-7-20/h1-3,6-7,9-10,13-14H,4-5,8,11-12,15-19H2/t23-/m0/s1.
What are the key properties of (5S)-7-(3-phenylpropyl)-2-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one?
(5S)-7-(3-phenylpropyl)-2-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 363.50 g/mol, XLogP of 3.53, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-(3-phenylpropyl)-2-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 42521731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).