ethyl 3-[1-(2-chlorophenyl)ethyl-cyclopropylcarbamoyl]piperidine-1-carboxylate

C20H27ClN2O3 — CID 78852776

IUPACethyl 3-[1-(2-chlorophenyl)ethyl-cyclopropylcarbamoyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCCC(C(=O)N(C2CC2)C(C)c2ccccc2Cl)C1
InChIInChI=1S/C20H27ClN2O3/c1-3-26-20(25)22-12-6-7-15(13-22)19(24)23(16-10-11-16)14(2)17-8-4-5-9-18(17)21/h4-5,8-9,14-16H,3,6-7,10-13H2,1-2H3
InChIKeyFMJJPRWBHYQNCY-UHFFFAOYSA-N
MW378.90 g/mol
LogP4.26
Rot. Bonds5

About ethyl 3-[1-(2-chlorophenyl)ethyl-cyclopropylcarbamoyl]piperidine-1-carboxylate

ethyl 3-[1-(2-chlorophenyl)ethyl-cyclopropylcarbamoyl]piperidine-1-carboxylate (PubChem CID 78852776) has the molecular formula C20H27ClN2O3 and a molecular weight of 378.90 g/mol. Its IUPAC name is ethyl 3-[1-(2-chlorophenyl)ethyl-cyclopropylcarbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-[1-(2-chlorophenyl)ethyl-cyclopropylcarbamoyl]piperidine-1-carboxylate
PubChem CID78852776
Molecular FormulaC20H27ClN2O3
Molecular Weight378.90 g/mol
Exact Mass378.17
IUPAC Nameethyl 3-[1-(2-chlorophenyl)ethyl-cyclopropylcarbamoyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCCC(C(=O)N(C2CC2)C(C)c2ccccc2Cl)C1
InChIInChI=1S/C20H27ClN2O3/c1-3-26-20(25)22-12-6-7-15(13-22)19(24)23(16-10-11-16)14(2)17-8-4-5-9-18(17)21/h4-5,8-9,14-16H,3,6-7,10-13H2,1-2H3
InChIKeyFMJJPRWBHYQNCY-UHFFFAOYSA-N
XLogP4.26
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 ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyl-4-ethoxybutanamide
CID 78884246
N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyl-2-pyrrolidin-2-ylacetamide
CID 119715165
2-[cyclopropyl-[1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]propanoic acid
CID 119202408
(2S,5R)-5-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyloxolane-2-carboxamide
CID 120786660
ethyl 4-[[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]carbamoyl]piperidine-1-carboxylate
CID 24638597
ethyl 3-[[(2-hydroxybenzoyl)amino]carbamoyl]piperidine-1-carboxylate
CID 43057131
1-(azepan-1-yl)-2-[1-(2-chlorophenyl)ethyl-methylamino]ethanone
CID 60505189
ethyl 1-[2-[(2-chlorobenzoyl)amino]-3-methylbutanoyl]piperidine-3-carboxylate
CID 51159672
1-butanoyl-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]piperidine-3-carboxamide
CID 55883722
ethyl (3R)-1-(3-chloro-2-methylbenzoyl)piperidine-3-carboxylate
CID 107098532
benzyl 3-[2-aminopropanoyl(methyl)amino]piperidine-1-carboxylate
CID 77143740
ethyl 3-(pyridin-2-ylcarbamoyl)piperidine-1-carboxylate
CID 46578071

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[1-(2-chlorophenyl)ethyl-cyclopropylcarbamoyl]piperidine-1-carboxylate?
The IUPAC name of ethyl 3-[1-(2-chlorophenyl)ethyl-cyclopropylcarbamoyl]piperidine-1-carboxylate (CID 78852776) is ethyl 3-[1-(2-chlorophenyl)ethyl-cyclopropylcarbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 3-[1-(2-chlorophenyl)ethyl-cyclopropylcarbamoyl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 3-[1-(2-chlorophenyl)ethyl-cyclopropylcarbamoyl]piperidine-1-carboxylate is CCOC(=O)N1CCCC(C(=O)N(C2CC2)C(C)c2ccccc2Cl)C1.
What is the InChIKey of ethyl 3-[1-(2-chlorophenyl)ethyl-cyclopropylcarbamoyl]piperidine-1-carboxylate?
The InChIKey is FMJJPRWBHYQNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN2O3/c1-3-26-20(25)22-12-6-7-15(13-22)19(24)23(16-10-11-16)14(2)17-8-4-5-9-18(17)21/h4-5,8-9,14-16H,3,6-7,10-13H2,1-2H3.
What are the key properties of ethyl 3-[1-(2-chlorophenyl)ethyl-cyclopropylcarbamoyl]piperidine-1-carboxylate?
ethyl 3-[1-(2-chlorophenyl)ethyl-cyclopropylcarbamoyl]piperidine-1-carboxylate has a molecular weight of 378.90 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[1-(2-chlorophenyl)ethyl-cyclopropylcarbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 78852776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).