butyl 2-[(4-chlorophenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate

C20H27ClN2O3 — CID 72881410

IUPACbutyl 2-[(4-chlorophenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
SMILESCCCCOC(=O)N1CCC2(CC1)CC(=O)N(Cc1ccc(Cl)cc1)C2
InChIInChI=1S/C20H27ClN2O3/c1-2-3-12-26-19(25)22-10-8-20(9-11-22)13-18(24)23(15-20)14-16-4-6-17(21)7-5-16/h4-7H,2-3,8-15H2,1H3
InChIKeyZIIVCCGYZWHXHC-UHFFFAOYSA-N
MW378.90 g/mol
LogP4.09
Rot. Bonds5

About butyl 2-[(4-chlorophenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate

butyl 2-[(4-chlorophenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate (PubChem CID 72881410) has the molecular formula C20H27ClN2O3 and a molecular weight of 378.90 g/mol. Its IUPAC name is butyl 2-[(4-chlorophenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Namebutyl 2-[(4-chlorophenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
PubChem CID72881410
Molecular FormulaC20H27ClN2O3
Molecular Weight378.90 g/mol
Exact Mass378.17
IUPAC Namebutyl 2-[(4-chlorophenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
SMILESCCCCOC(=O)N1CCC2(CC1)CC(=O)N(Cc1ccc(Cl)cc1)C2
InChIInChI=1S/C20H27ClN2O3/c1-2-3-12-26-19(25)22-10-8-20(9-11-22)13-18(24)23(15-20)14-16-4-6-17(21)7-5-16/h4-7H,2-3,8-15H2,1H3
InChIKeyZIIVCCGYZWHXHC-UHFFFAOYSA-N
XLogP4.09
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.90
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[[2-[(4-chlorophenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl]amino]acetate
CID 70748143
2-[(4-chlorophenyl)methyl]-8-[(2S)-3-hydroxy-2-(methylamino)propanoyl]-2,8-diazaspiro[4.5]decan-3-one;hydrochloride
CID 154897310
2-[(4-chlorophenyl)methyl]-8-(2-imidazol-1-ylacetyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72841661
butyl 6-chloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate
CID 108735122
2-[(4-chlorophenyl)methyl]-8-[(2S)-3-hydroxy-2-methylpropyl]-2,8-diazaspiro[4.5]decan-3-one
CID 70783678
2-[(4-chlorophenyl)methyl]-8-cyclopentyl-2,8-diazaspiro[4.5]decan-3-one
CID 72852011
2-benzyl-8-(4-methylpiperazine-1-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 70746596
butyl 1-benzyl-2-oxospiro[indole-3,4'-piperidine]-1'-carboxylate
CID 144930300
butyl aziridine-1-carboxylate
CID 12641
8-[(2S)-2-aminohexanoyl]-2-[(3,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one;hydrochloride
CID 154899239
8-[(2S)-2-amino-3-phenylpropanoyl]-2-benzyl-2,8-diazaspiro[4.5]decan-3-one
CID 72877372
butyl 2-oxospiro[1H-indole-3,4'-piperidine]-1'-carboxylate
CID 70245325

Frequently Asked Questions

What is the IUPAC name of butyl 2-[(4-chlorophenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate?
The IUPAC name of butyl 2-[(4-chlorophenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate (CID 72881410) is butyl 2-[(4-chlorophenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for butyl 2-[(4-chlorophenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for butyl 2-[(4-chlorophenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate is CCCCOC(=O)N1CCC2(CC1)CC(=O)N(Cc1ccc(Cl)cc1)C2.
What is the InChIKey of butyl 2-[(4-chlorophenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate?
The InChIKey is ZIIVCCGYZWHXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN2O3/c1-2-3-12-26-19(25)22-10-8-20(9-11-22)13-18(24)23(15-20)14-16-4-6-17(21)7-5-16/h4-7H,2-3,8-15H2,1H3.
What are the key properties of butyl 2-[(4-chlorophenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate?
butyl 2-[(4-chlorophenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate has a molecular weight of 378.90 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-[(4-chlorophenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 72881410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).