1-[2-[(3-methylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl]cyclopentane-1-carbonitrile

C23H29N3O2 — CID 155872705

IUPAC1-[2-[(3-methylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl]cyclopentane-1-carbonitrile
SMILESCc1cccc(CN2CCC3(CCN(C(=O)C4(C#N)CCCC4)CC3)C2=O)c1
InChIInChI=1S/C23H29N3O2/c1-18-5-4-6-19(15-18)16-26-14-11-22(20(26)27)9-12-25(13-10-22)21(28)23(17-24)7-2-3-8-23/h4-6,15H,2-3,7-14,16H2,1H3
InChIKeyJUZXSPYCLSBGDE-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.42
Rot. Bonds3

About 1-[2-[(3-methylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl]cyclopentane-1-carbonitrile

1-[2-[(3-methylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl]cyclopentane-1-carbonitrile (PubChem CID 155872705) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 1-[2-[(3-methylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-[2-[(3-methylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl]cyclopentane-1-carbonitrile
PubChem CID155872705
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name1-[2-[(3-methylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl]cyclopentane-1-carbonitrile
SMILESCc1cccc(CN2CCC3(CCN(C(=O)C4(C#N)CCCC4)CC3)C2=O)c1
InChIInChI=1S/C23H29N3O2/c1-18-5-4-6-19(15-18)16-26-14-11-22(20(26)27)9-12-25(13-10-22)21(28)23(17-24)7-2-3-8-23/h4-6,15H,2-3,7-14,16H2,1H3
InChIKeyJUZXSPYCLSBGDE-UHFFFAOYSA-N
XLogP3.42
TPSA64.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5R)-2-[(3-methylphenyl)methyl]-7-(2-methylpropanoyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97451547
8-(3-hydroxycyclobutanecarbonyl)-2-[(3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one
CID 131686090
(5R)-7-[(1S,2S)-2-methylcyclopropanecarbonyl]-2-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one
CID 97451552
2-[(3-methylphenyl)methyl]-7-(3,3,3-trifluoropropanoyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 131642620
2-(cyclopropanecarbonyl)-7-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45245252
2-butanoyl-7-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45179241
2-[(3-methylphenyl)methyl]-9-methylsulfonyl-2,9-diazaspiro[4.6]undecan-1-one
CID 131640564
2-(3-methylbutanoyl)-7-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45198587
(5S)-2-[(3-methylphenyl)methyl]-7-(1-methylpyrrole-2-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97373854
(5S)-7-(2-methylfuran-3-carbonyl)-2-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one
CID 97373850
N-tert-butyl-7-[(3-methylphenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
CID 45222420
(5R)-N-tert-butyl-7-[(3-methylphenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
CID 25447593

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-methylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl]cyclopentane-1-carbonitrile?
The IUPAC name of 1-[2-[(3-methylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl]cyclopentane-1-carbonitrile (CID 155872705) is 1-[2-[(3-methylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-[2-[(3-methylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-[2-[(3-methylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl]cyclopentane-1-carbonitrile is Cc1cccc(CN2CCC3(CCN(C(=O)C4(C#N)CCCC4)CC3)C2=O)c1.
What is the InChIKey of 1-[2-[(3-methylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl]cyclopentane-1-carbonitrile?
The InChIKey is JUZXSPYCLSBGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-18-5-4-6-19(15-18)16-26-14-11-22(20(26)27)9-12-25(13-10-22)21(28)23(17-24)7-2-3-8-23/h4-6,15H,2-3,7-14,16H2,1H3.
What are the key properties of 1-[2-[(3-methylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl]cyclopentane-1-carbonitrile?
1-[2-[(3-methylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl]cyclopentane-1-carbonitrile has a molecular weight of 379.50 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-methylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 155872705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).