ethyl 1-benzyl-2-[(4-methylbenzoyl)amino]piperidine-4-carboxylate

C23H28N2O3 — CID 22359958

IUPACethyl 1-benzyl-2-[(4-methylbenzoyl)amino]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cc2ccccc2)C(NC(=O)c2ccc(C)cc2)C1
InChIInChI=1S/C23H28N2O3/c1-3-28-23(27)20-13-14-25(16-18-7-5-4-6-8-18)21(15-20)24-22(26)19-11-9-17(2)10-12-19/h4-12,20-21H,3,13-16H2,1-2H3,(H,24,26)
InChIKeyXMMKDXYDNKNHEL-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.53
Rot. Bonds6

About ethyl 1-benzyl-2-[(4-methylbenzoyl)amino]piperidine-4-carboxylate

ethyl 1-benzyl-2-[(4-methylbenzoyl)amino]piperidine-4-carboxylate (PubChem CID 22359958) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is ethyl 1-benzyl-2-[(4-methylbenzoyl)amino]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-benzyl-2-[(4-methylbenzoyl)amino]piperidine-4-carboxylate
PubChem CID22359958
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Nameethyl 1-benzyl-2-[(4-methylbenzoyl)amino]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cc2ccccc2)C(NC(=O)c2ccc(C)cc2)C1
InChIInChI=1S/C23H28N2O3/c1-3-28-23(27)20-13-14-25(16-18-7-5-4-6-8-18)21(15-20)24-22(26)19-11-9-17(2)10-12-19/h4-12,20-21H,3,13-16H2,1-2H3,(H,24,26)
InChIKeyXMMKDXYDNKNHEL-UHFFFAOYSA-N
XLogP3.53
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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methyl (2S,4R)-1-benzyl-2-cyclopropylpiperidine-4-carboxylate
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ethyl (3R,5S)-1-benzyl-5-(trifluoromethyl)pyrrolidine-3-carboxylate
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N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 2729497
ethyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate
CID 669998
ethyl 1-[(1-benzyl-5-oxopyrrolidin-3-yl)carbamoyl]piperidine-4-carboxylate
CID 108876410
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CID 102218591
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CID 12727480

Frequently Asked Questions

What is the IUPAC name of ethyl 1-benzyl-2-[(4-methylbenzoyl)amino]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-benzyl-2-[(4-methylbenzoyl)amino]piperidine-4-carboxylate (CID 22359958) is ethyl 1-benzyl-2-[(4-methylbenzoyl)amino]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-benzyl-2-[(4-methylbenzoyl)amino]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-benzyl-2-[(4-methylbenzoyl)amino]piperidine-4-carboxylate is CCOC(=O)C1CCN(Cc2ccccc2)C(NC(=O)c2ccc(C)cc2)C1.
What is the InChIKey of ethyl 1-benzyl-2-[(4-methylbenzoyl)amino]piperidine-4-carboxylate?
The InChIKey is XMMKDXYDNKNHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-3-28-23(27)20-13-14-25(16-18-7-5-4-6-8-18)21(15-20)24-22(26)19-11-9-17(2)10-12-19/h4-12,20-21H,3,13-16H2,1-2H3,(H,24,26).
What are the key properties of ethyl 1-benzyl-2-[(4-methylbenzoyl)amino]piperidine-4-carboxylate?
ethyl 1-benzyl-2-[(4-methylbenzoyl)amino]piperidine-4-carboxylate has a molecular weight of 380.49 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-benzyl-2-[(4-methylbenzoyl)amino]piperidine-4-carboxylate is sourced from PubChem (CID 22359958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).