ethyl 3-benzyl-1-(ethylcarbamoyl)piperidine-3-carboxylate

C18H26N2O3 — CID 45244971

IUPACethyl 3-benzyl-1-(ethylcarbamoyl)piperidine-3-carboxylate
SMILESCCNC(=O)N1CCCC(Cc2ccccc2)(C(=O)OCC)C1
InChIInChI=1S/C18H26N2O3/c1-3-19-17(22)20-12-8-11-18(14-20,16(21)23-4-2)13-15-9-6-5-7-10-15/h5-7,9-10H,3-4,8,11-14H2,1-2H3,(H,19,22)
InChIKeyRLEFSKLYGSMVDV-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.60
Rot. Bonds5

About ethyl 3-benzyl-1-(ethylcarbamoyl)piperidine-3-carboxylate

ethyl 3-benzyl-1-(ethylcarbamoyl)piperidine-3-carboxylate (PubChem CID 45244971) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is ethyl 3-benzyl-1-(ethylcarbamoyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 3-benzyl-1-(ethylcarbamoyl)piperidine-3-carboxylate
PubChem CID45244971
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Nameethyl 3-benzyl-1-(ethylcarbamoyl)piperidine-3-carboxylate
SMILESCCNC(=O)N1CCCC(Cc2ccccc2)(C(=O)OCC)C1
InChIInChI=1S/C18H26N2O3/c1-3-19-17(22)20-12-8-11-18(14-20,16(21)23-4-2)13-15-9-6-5-7-10-15/h5-7,9-10H,3-4,8,11-14H2,1-2H3,(H,19,22)
InChIKeyRLEFSKLYGSMVDV-UHFFFAOYSA-N
XLogP2.60
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (3S)-3-benzyl-1-[(2-chlorophenyl)carbamoyl]piperidine-3-carboxylate
CID 26411375
ethyl 3-benzyl-1-(pyrazolidine-4-carbonyl)piperidine-3-carboxylate
CID 74324679
ethyl 3-benzyl-1-[(2,3-dimethylphenyl)carbamoyl]piperidine-3-carboxylate
CID 45249170
ethyl (3R)-3-benzyl-1-[(2-chloro-6-methylphenyl)carbamoyl]piperidine-3-carboxylate
CID 42396158
ethyl (3S)-1-[(2R)-2-amino-3-phenylmethoxypropanoyl]-3-benzylpiperidine-3-carboxylate
CID 10623867
ethyl (3S)-1-[(2-ethoxy-2-oxoethyl)carbamoyl]-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate
CID 42462822
ethyl (3R)-3-[(3-chlorophenyl)methyl]-1-(propan-2-ylcarbamoyl)piperidine-3-carboxylate
CID 26390875
ethyl 1-(benzylcarbamoyl)-4-[(4-chlorophenyl)methyl]piperidine-4-carboxylate
CID 26409521
ethyl 1-benzylcyclopropane-1-carboxylate
CID 12619318
ethyl (3R)-3-benzyl-1-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanoyl]piperidine-3-carboxylate
CID 26331675
ethyl (3S)-3-[(2-methylphenyl)methyl]-1-(2-oxo-2-phenylacetyl)piperidine-3-carboxylate
CID 26321946
1-(benzylcarbamoyl)-3-ethylpiperidine-3-carboxylic acid
CID 63138228

Frequently Asked Questions

What is the IUPAC name of ethyl 3-benzyl-1-(ethylcarbamoyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 3-benzyl-1-(ethylcarbamoyl)piperidine-3-carboxylate (CID 45244971) is ethyl 3-benzyl-1-(ethylcarbamoyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 3-benzyl-1-(ethylcarbamoyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 3-benzyl-1-(ethylcarbamoyl)piperidine-3-carboxylate is CCNC(=O)N1CCCC(Cc2ccccc2)(C(=O)OCC)C1.
What is the InChIKey of ethyl 3-benzyl-1-(ethylcarbamoyl)piperidine-3-carboxylate?
The InChIKey is RLEFSKLYGSMVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-3-19-17(22)20-12-8-11-18(14-20,16(21)23-4-2)13-15-9-6-5-7-10-15/h5-7,9-10H,3-4,8,11-14H2,1-2H3,(H,19,22).
What are the key properties of ethyl 3-benzyl-1-(ethylcarbamoyl)piperidine-3-carboxylate?
ethyl 3-benzyl-1-(ethylcarbamoyl)piperidine-3-carboxylate has a molecular weight of 318.42 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-benzyl-1-(ethylcarbamoyl)piperidine-3-carboxylate is sourced from PubChem (CID 45244971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).