butyl 3-[(3-acetylphenyl)carbamoyl]piperidine-1-carboxylate

C19H26N2O4 — CID 174880459

IUPACbutyl 3-[(3-acetylphenyl)carbamoyl]piperidine-1-carboxylate
SMILESCCCCOC(=O)N1CCCC(C(=O)Nc2cccc(C(C)=O)c2)C1
InChIInChI=1S/C19H26N2O4/c1-3-4-11-25-19(24)21-10-6-8-16(13-21)18(23)20-17-9-5-7-15(12-17)14(2)22/h5,7,9,12,16H,3-4,6,8,10-11,13H2,1-2H3,(H,20,23)
InChIKeyWSCDVQPSAIEMQZ-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.48
Rot. Bonds6

About butyl 3-[(3-acetylphenyl)carbamoyl]piperidine-1-carboxylate

butyl 3-[(3-acetylphenyl)carbamoyl]piperidine-1-carboxylate (PubChem CID 174880459) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is butyl 3-[(3-acetylphenyl)carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namebutyl 3-[(3-acetylphenyl)carbamoyl]piperidine-1-carboxylate
PubChem CID174880459
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Namebutyl 3-[(3-acetylphenyl)carbamoyl]piperidine-1-carboxylate
SMILESCCCCOC(=O)N1CCCC(C(=O)Nc2cccc(C(C)=O)c2)C1
InChIInChI=1S/C19H26N2O4/c1-3-4-11-25-19(24)21-10-6-8-16(13-21)18(23)20-17-9-5-7-15(12-17)14(2)22/h5,7,9,12,16H,3-4,6,8,10-11,13H2,1-2H3,(H,20,23)
InChIKeyWSCDVQPSAIEMQZ-UHFFFAOYSA-N
XLogP3.48
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-[[3-(diethylsulfamoyl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 42948173
tert-butyl 3-[(3-methoxycarbonylphenyl)carbamoyl]piperidine-1-carboxylate
CID 51255258
N-(3-acetylphenyl)-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 42895769
ethyl 1-[3-(cyclopropanecarbonylamino)benzoyl]piperidine-3-carboxylate
CID 47005233
(3R)-1-[(3-acetylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512783
tert-butyl 3-[(4-butoxyphenyl)carbamoyl]piperidine-1-carboxylate
CID 84554251
N-(3-bromophenyl)-1-propanoylpiperidine-3-carboxamide
CID 47255103
2-methylpropyl 3-(phenylcarbamoyl)piperidine-1-carboxylate
CID 68757198
ethyl 3-[[1-(furan-3-carbonyl)piperidine-3-carbonyl]amino]benzoate
CID 46604295
3-N-[3-(diethylcarbamoyl)phenyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 102556035
benzyl 3-[(3-cyanophenyl)carbamoyl]piperidine-1-carboxylate
CID 110678535
ethyl 3-[[1-(2-fluorobenzoyl)piperidine-3-carbonyl]amino]benzoate
CID 50804505

Frequently Asked Questions

What is the IUPAC name of butyl 3-[(3-acetylphenyl)carbamoyl]piperidine-1-carboxylate?
The IUPAC name of butyl 3-[(3-acetylphenyl)carbamoyl]piperidine-1-carboxylate (CID 174880459) is butyl 3-[(3-acetylphenyl)carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for butyl 3-[(3-acetylphenyl)carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for butyl 3-[(3-acetylphenyl)carbamoyl]piperidine-1-carboxylate is CCCCOC(=O)N1CCCC(C(=O)Nc2cccc(C(C)=O)c2)C1.
What is the InChIKey of butyl 3-[(3-acetylphenyl)carbamoyl]piperidine-1-carboxylate?
The InChIKey is WSCDVQPSAIEMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-3-4-11-25-19(24)21-10-6-8-16(13-21)18(23)20-17-9-5-7-15(12-17)14(2)22/h5,7,9,12,16H,3-4,6,8,10-11,13H2,1-2H3,(H,20,23).
What are the key properties of butyl 3-[(3-acetylphenyl)carbamoyl]piperidine-1-carboxylate?
butyl 3-[(3-acetylphenyl)carbamoyl]piperidine-1-carboxylate has a molecular weight of 346.43 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 3-[(3-acetylphenyl)carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 174880459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).