ethyl 4-[1-(2,5-dimethylphenyl)ethylcarbamoyl]piperidine-1-carboxylate

C19H28N2O3 — CID 17459653

IUPACethyl 4-[1-(2,5-dimethylphenyl)ethylcarbamoyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(C(=O)NC(C)c2cc(C)ccc2C)CC1
InChIInChI=1S/C19H28N2O3/c1-5-24-19(23)21-10-8-16(9-11-21)18(22)20-15(4)17-12-13(2)6-7-14(17)3/h6-7,12,15-16H,5,8-11H2,1-4H3,(H,20,22)
InChIKeyVTCQAHZXNFLVIE-UHFFFAOYSA-N
MW332.44 g/mol
LogP3.35
Rot. Bonds4

About ethyl 4-[1-(2,5-dimethylphenyl)ethylcarbamoyl]piperidine-1-carboxylate

ethyl 4-[1-(2,5-dimethylphenyl)ethylcarbamoyl]piperidine-1-carboxylate (PubChem CID 17459653) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is ethyl 4-[1-(2,5-dimethylphenyl)ethylcarbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[1-(2,5-dimethylphenyl)ethylcarbamoyl]piperidine-1-carboxylate
PubChem CID17459653
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Nameethyl 4-[1-(2,5-dimethylphenyl)ethylcarbamoyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(C(=O)NC(C)c2cc(C)ccc2C)CC1
InChIInChI=1S/C19H28N2O3/c1-5-24-19(23)21-10-8-16(9-11-21)18(22)20-15(4)17-12-13(2)6-7-14(17)3/h6-7,12,15-16H,5,8-11H2,1-4H3,(H,20,22)
InChIKeyVTCQAHZXNFLVIE-UHFFFAOYSA-N
XLogP3.35
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-(1-phenylethylcarbamoyl)piperidine-1-carboxylate
CID 46798149
ethyl 4-[[(1S)-1-pyridin-2-ylethyl]carbamoyl]piperidine-1-carboxylate
CID 35939336
ethyl 4-[1-[4-(trifluoromethyl)phenyl]ethylcarbamoyl]piperidine-1-carboxylate
CID 46448992
N-[1-(2,4-dimethylphenyl)ethyl]-1-methylpiperidine-4-carboxamide
CID 132649676
1-[(4-bromophenyl)methylsulfonyl]-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]piperidine-4-carboxamide
CID 92677078
1-[(2-chlorophenyl)methylsulfonyl]-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]piperidine-4-carboxamide
CID 99131182
1-[2-[1-(2-ethoxy-5-methylphenyl)ethylamino]-2-oxoacetyl]piperidine-4-carboxamide
CID 108510642
(3R)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 34177914
ethyl 4-[[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]carbamoyl]piperidine-1-carboxylate
CID 40881117
trans-(1S,2S)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 11922406
N-[1-(2,5-dimethylphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 6469818
1-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]piperidine-4-carboxamide
CID 30380253

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[1-(2,5-dimethylphenyl)ethylcarbamoyl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[1-(2,5-dimethylphenyl)ethylcarbamoyl]piperidine-1-carboxylate (CID 17459653) is ethyl 4-[1-(2,5-dimethylphenyl)ethylcarbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[1-(2,5-dimethylphenyl)ethylcarbamoyl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[1-(2,5-dimethylphenyl)ethylcarbamoyl]piperidine-1-carboxylate is CCOC(=O)N1CCC(C(=O)NC(C)c2cc(C)ccc2C)CC1.
What is the InChIKey of ethyl 4-[1-(2,5-dimethylphenyl)ethylcarbamoyl]piperidine-1-carboxylate?
The InChIKey is VTCQAHZXNFLVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-5-24-19(23)21-10-8-16(9-11-21)18(22)20-15(4)17-12-13(2)6-7-14(17)3/h6-7,12,15-16H,5,8-11H2,1-4H3,(H,20,22).
What are the key properties of ethyl 4-[1-(2,5-dimethylphenyl)ethylcarbamoyl]piperidine-1-carboxylate?
ethyl 4-[1-(2,5-dimethylphenyl)ethylcarbamoyl]piperidine-1-carboxylate has a molecular weight of 332.44 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[1-(2,5-dimethylphenyl)ethylcarbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 17459653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).