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

C24H29N3O2 — CID 42197713

IUPAC(5S)-7-(3-phenylpropyl)-2-(2-pyridin-2-ylacetyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C(Cc1ccccn1)N1CC[C@@]2(CCCN(CCCc3ccccc3)C2=O)C1
InChIInChI=1S/C24H29N3O2/c28-22(18-21-11-4-5-14-25-21)27-17-13-24(19-27)12-7-16-26(23(24)29)15-6-10-20-8-2-1-3-9-20/h1-5,8-9,11,14H,6-7,10,12-13,15-19H2/t24-/m0/s1
InChIKeyPYLSVZRXAYMMEJ-DEOSSOPVSA-N
MW391.51 g/mol
LogP3.10
Rot. Bonds6

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

(5S)-7-(3-phenylpropyl)-2-(2-pyridin-2-ylacetyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 42197713) has the molecular formula C24H29N3O2 and a molecular weight of 391.51 g/mol. Its IUPAC name is (5S)-7-(3-phenylpropyl)-2-(2-pyridin-2-ylacetyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5S)-7-(3-phenylpropyl)-2-(2-pyridin-2-ylacetyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID42197713
Molecular FormulaC24H29N3O2
Molecular Weight391.51 g/mol
Exact Mass391.23
IUPAC Name(5S)-7-(3-phenylpropyl)-2-(2-pyridin-2-ylacetyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C(Cc1ccccn1)N1CC[C@@]2(CCCN(CCCc3ccccc3)C2=O)C1
InChIInChI=1S/C24H29N3O2/c28-22(18-21-11-4-5-14-25-21)27-17-13-24(19-27)12-7-16-26(23(24)29)15-6-10-20-8-2-1-3-9-20/h1-5,8-9,11,14H,6-7,10,12-13,15-19H2/t24-/m0/s1
InChIKeyPYLSVZRXAYMMEJ-DEOSSOPVSA-N
XLogP3.10
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.51
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-7-(3-phenylpropyl)-2-(2-pyridin-2-ylacetyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5S)-7-(3-phenylpropyl)-2-(2-pyridin-2-ylacetyl)-2,7-diazaspiro[4.5]decan-6-one (CID 42197713) is (5S)-7-(3-phenylpropyl)-2-(2-pyridin-2-ylacetyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5S)-7-(3-phenylpropyl)-2-(2-pyridin-2-ylacetyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5S)-7-(3-phenylpropyl)-2-(2-pyridin-2-ylacetyl)-2,7-diazaspiro[4.5]decan-6-one is O=C(Cc1ccccn1)N1CC[C@@]2(CCCN(CCCc3ccccc3)C2=O)C1.
What is the InChIKey of (5S)-7-(3-phenylpropyl)-2-(2-pyridin-2-ylacetyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is PYLSVZRXAYMMEJ-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H29N3O2/c28-22(18-21-11-4-5-14-25-21)27-17-13-24(19-27)12-7-16-26(23(24)29)15-6-10-20-8-2-1-3-9-20/h1-5,8-9,11,14H,6-7,10,12-13,15-19H2/t24-/m0/s1.
What are the key properties of (5S)-7-(3-phenylpropyl)-2-(2-pyridin-2-ylacetyl)-2,7-diazaspiro[4.5]decan-6-one?
(5S)-7-(3-phenylpropyl)-2-(2-pyridin-2-ylacetyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 391.51 g/mol, XLogP of 3.10, 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-(2-pyridin-2-ylacetyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 42197713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).