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

C23H32N2O2 — CID 25456250

IUPAC(5S)-2-(cyclopentanecarbonyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C(C1CCCC1)N1CC[C@@]2(CCCN(CCCc3ccccc3)C2=O)C1
InChIInChI=1S/C23H32N2O2/c26-21(20-11-4-5-12-20)25-17-14-23(18-25)13-7-16-24(22(23)27)15-6-10-19-8-2-1-3-9-19/h1-3,8-9,20H,4-7,10-18H2/t23-/m0/s1
InChIKeyULKHXIUJAAGPNN-QHCPKHFHSA-N
MW368.52 g/mol
LogP3.65
Rot. Bonds5

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

(5S)-2-(cyclopentanecarbonyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 25456250) has the molecular formula C23H32N2O2 and a molecular weight of 368.52 g/mol. Its IUPAC name is (5S)-2-(cyclopentanecarbonyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5S)-2-(cyclopentanecarbonyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID25456250
Molecular FormulaC23H32N2O2
Molecular Weight368.52 g/mol
Exact Mass368.25
IUPAC Name(5S)-2-(cyclopentanecarbonyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C(C1CCCC1)N1CC[C@@]2(CCCN(CCCc3ccccc3)C2=O)C1
InChIInChI=1S/C23H32N2O2/c26-21(20-11-4-5-12-20)25-17-14-23(18-25)13-7-16-24(22(23)27)15-6-10-19-8-2-1-3-9-19/h1-3,8-9,20H,4-7,10-18H2/t23-/m0/s1
InChIKeyULKHXIUJAAGPNN-QHCPKHFHSA-N
XLogP3.65
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclobutanecarbonyl)-7-(2-phenylethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45238173
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-(2-hydroxyacetyl)-7-(2-phenylethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 119069763
(5S)-7-(3-phenylpropyl)-2-(2-pyridin-2-ylacetyl)-2,7-diazaspiro[4.5]decan-6-one
CID 42197713
(5S)-2-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decan-6-one
CID 126438724
2-(4-methyl-1,3-oxazole-5-carbonyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45179648
(5S)-2-(cyclopentanecarbonyl)-7-[(2,3-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 25298738
2-(4-hydroxy-6-oxo-1H-pyridine-3-carbonyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decan-6-one
CID 119068651
2-(cyclopropanecarbonyl)-7-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45245252
(5S)-2-(1-oxidopyridin-1-ium-4-carbonyl)-7-(2-phenylethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 42357494
(5R)-2-(cyclobutanecarbonyl)-7-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 25283016

Frequently Asked Questions

What is the IUPAC name of (5S)-2-(cyclopentanecarbonyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5S)-2-(cyclopentanecarbonyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decan-6-one (CID 25456250) is (5S)-2-(cyclopentanecarbonyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5S)-2-(cyclopentanecarbonyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5S)-2-(cyclopentanecarbonyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decan-6-one is O=C(C1CCCC1)N1CC[C@@]2(CCCN(CCCc3ccccc3)C2=O)C1.
What is the InChIKey of (5S)-2-(cyclopentanecarbonyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is ULKHXIUJAAGPNN-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H32N2O2/c26-21(20-11-4-5-12-20)25-17-14-23(18-25)13-7-16-24(22(23)27)15-6-10-19-8-2-1-3-9-19/h1-3,8-9,20H,4-7,10-18H2/t23-/m0/s1.
What are the key properties of (5S)-2-(cyclopentanecarbonyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decan-6-one?
(5S)-2-(cyclopentanecarbonyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 368.52 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-(cyclopentanecarbonyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 25456250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).