2-[2-(4-chlorophenyl)propanoyl]-N-naphthalen-1-yl-2,8-diazaspiro[4.5]decane-8-carboxamide

C28H30ClN3O2 — CID 3823471

IUPAC2-[2-(4-chlorophenyl)propanoyl]-N-naphthalen-1-yl-2,8-diazaspiro[4.5]decane-8-carboxamide
SMILESCC(C(=O)N1CCC2(CCN(C(=O)Nc3cccc4ccccc34)CC2)C1)c1ccc(Cl)cc1
InChIInChI=1S/C28H30ClN3O2/c1-20(21-9-11-23(29)12-10-21)26(33)32-18-15-28(19-32)13-16-31(17-14-28)27(34)30-25-8-4-6-22-5-2-3-7-24(22)25/h2-12,20H,13-19H2,1H3,(H,30,34)
InChIKeyCILPPCGFNJQHBC-UHFFFAOYSA-N
MW476.02 g/mol
LogP6.14
Rot. Bonds3

About 2-[2-(4-chlorophenyl)propanoyl]-N-naphthalen-1-yl-2,8-diazaspiro[4.5]decane-8-carboxamide

2-[2-(4-chlorophenyl)propanoyl]-N-naphthalen-1-yl-2,8-diazaspiro[4.5]decane-8-carboxamide (PubChem CID 3823471) has the molecular formula C28H30ClN3O2 and a molecular weight of 476.02 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)propanoyl]-N-naphthalen-1-yl-2,8-diazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)propanoyl]-N-naphthalen-1-yl-2,8-diazaspiro[4.5]decane-8-carboxamide
PubChem CID3823471
Molecular FormulaC28H30ClN3O2
Molecular Weight476.02 g/mol
Exact Mass475.20
IUPAC Name2-[2-(4-chlorophenyl)propanoyl]-N-naphthalen-1-yl-2,8-diazaspiro[4.5]decane-8-carboxamide
SMILESCC(C(=O)N1CCC2(CCN(C(=O)Nc3cccc4ccccc34)CC2)C1)c1ccc(Cl)cc1
InChIInChI=1S/C28H30ClN3O2/c1-20(21-9-11-23(29)12-10-21)26(33)32-18-15-28(19-32)13-16-31(17-14-28)27(34)30-25-8-4-6-22-5-2-3-7-24(22)25/h2-12,20H,13-19H2,1H3,(H,30,34)
InChIKeyCILPPCGFNJQHBC-UHFFFAOYSA-N
XLogP6.14
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.02
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(4-methoxyphenoxy)propanoyl]-N-naphthalen-1-yl-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 3578565
2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-N-naphthalen-1-yl-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 3684554
2-[2-(4-chlorophenyl)propanoyl]-N-(3-methoxyphenyl)-2,8-diazaspiro[4.5]decane-8-carbothioamide
CID 3863422
N-[2-[2-[2-(4-chlorophenyl)propanoyl]-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide
CID 4665105
methyl 4-(naphthalen-1-ylcarbamoyl)piperazine-1-carboxylate
CID 108884718
N-naphthalen-1-yl-2-[(1R,2S,3S,4S,6R)-5-oxotricyclo[2.2.1.02,6]heptane-3-carbonyl]-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 74228686
N-naphthalen-1-yl-2-[5-(2-phenylethynyl)furan-2-carbonyl]-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 3679272
N-naphthalen-1-yl-2-[5-(2-phenylethynyl)pyridine-3-carbonyl]-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 3644025
4-formyl-N-naphthalen-1-ylpiperazine-1-carboxamide
CID 3736870
4-cyano-N-naphthalen-1-yl-4-phenylpiperidine-1-carboxamide
CID 4576172
N-naphthalen-1-yl-2-[2-(3-pyridin-4-ylpyrazol-1-yl)acetyl]-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 3630585
N-(2-chlorophenyl)-6-azaspiro[2.5]octane-6-carboxamide
CID 97374347

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)propanoyl]-N-naphthalen-1-yl-2,8-diazaspiro[4.5]decane-8-carboxamide?
The IUPAC name of 2-[2-(4-chlorophenyl)propanoyl]-N-naphthalen-1-yl-2,8-diazaspiro[4.5]decane-8-carboxamide (CID 3823471) is 2-[2-(4-chlorophenyl)propanoyl]-N-naphthalen-1-yl-2,8-diazaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)propanoyl]-N-naphthalen-1-yl-2,8-diazaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)propanoyl]-N-naphthalen-1-yl-2,8-diazaspiro[4.5]decane-8-carboxamide is CC(C(=O)N1CCC2(CCN(C(=O)Nc3cccc4ccccc34)CC2)C1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[2-(4-chlorophenyl)propanoyl]-N-naphthalen-1-yl-2,8-diazaspiro[4.5]decane-8-carboxamide?
The InChIKey is CILPPCGFNJQHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30ClN3O2/c1-20(21-9-11-23(29)12-10-21)26(33)32-18-15-28(19-32)13-16-31(17-14-28)27(34)30-25-8-4-6-22-5-2-3-7-24(22)25/h2-12,20H,13-19H2,1H3,(H,30,34).
What are the key properties of 2-[2-(4-chlorophenyl)propanoyl]-N-naphthalen-1-yl-2,8-diazaspiro[4.5]decane-8-carboxamide?
2-[2-(4-chlorophenyl)propanoyl]-N-naphthalen-1-yl-2,8-diazaspiro[4.5]decane-8-carboxamide has a molecular weight of 476.02 g/mol, XLogP of 6.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)propanoyl]-N-naphthalen-1-yl-2,8-diazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 3823471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).