1-(4-chlorophenyl)ethyl 1-(cyclopropanecarbonyl)piperidine-4-carboxylate

C18H22ClNO3 — CID 134057444

IUPAC1-(4-chlorophenyl)ethyl 1-(cyclopropanecarbonyl)piperidine-4-carboxylate
SMILESCC(OC(=O)C1CCN(C(=O)C2CC2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C18H22ClNO3/c1-12(13-4-6-16(19)7-5-13)23-18(22)15-8-10-20(11-9-15)17(21)14-2-3-14/h4-7,12,14-15H,2-3,8-11H2,1H3
InChIKeyFOVCGDZGDAKZIL-UHFFFAOYSA-N
MW335.83 g/mol
LogP3.59
Rot. Bonds4

About 1-(4-chlorophenyl)ethyl 1-(cyclopropanecarbonyl)piperidine-4-carboxylate

1-(4-chlorophenyl)ethyl 1-(cyclopropanecarbonyl)piperidine-4-carboxylate (PubChem CID 134057444) has the molecular formula C18H22ClNO3 and a molecular weight of 335.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)ethyl 1-(cyclopropanecarbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Name1-(4-chlorophenyl)ethyl 1-(cyclopropanecarbonyl)piperidine-4-carboxylate
PubChem CID134057444
Molecular FormulaC18H22ClNO3
Molecular Weight335.83 g/mol
Exact Mass335.13
IUPAC Name1-(4-chlorophenyl)ethyl 1-(cyclopropanecarbonyl)piperidine-4-carboxylate
SMILESCC(OC(=O)C1CCN(C(=O)C2CC2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C18H22ClNO3/c1-12(13-4-6-16(19)7-5-13)23-18(22)15-8-10-20(11-9-15)17(21)14-2-3-14/h4-7,12,14-15H,2-3,8-11H2,1H3
InChIKeyFOVCGDZGDAKZIL-UHFFFAOYSA-N
XLogP3.59
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.83
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-cyclopropylmethanone
CID 111112276
N-[1-(4-chlorophenyl)ethyl]-4-(cyclopropanecarbonyl)-1,4-diazepane-1-carboxamide
CID 86802689
N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 51187239
1-O-tert-butyl 4-O-[(1S)-1-phenylethyl] piperidine-1,4-dicarboxylate
CID 138393461
azepan-1-yl-[1-[2-(4-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]methanone
CID 46536157
(4-propan-2-ylphenyl) 1-(4-chlorobenzoyl)piperidine-4-carboxylate
CID 18228909
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
CID 26009451
[(1S)-1-phenylethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 7739997
1-[2-(4-chlorophenyl)propanoyl]piperidine-4-carboxylic acid
CID 154842275
[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate
CID 8635136
[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate
CID 8635137
1-O-tert-butyl 4-O-[1-(4-chloroanilino)-1-oxopropan-2-yl] piperidine-1,4-dicarboxylate
CID 46826612

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)ethyl 1-(cyclopropanecarbonyl)piperidine-4-carboxylate?
The IUPAC name of 1-(4-chlorophenyl)ethyl 1-(cyclopropanecarbonyl)piperidine-4-carboxylate (CID 134057444) is 1-(4-chlorophenyl)ethyl 1-(cyclopropanecarbonyl)piperidine-4-carboxylate.
What is the SMILES notation for 1-(4-chlorophenyl)ethyl 1-(cyclopropanecarbonyl)piperidine-4-carboxylate?
The canonical SMILES for 1-(4-chlorophenyl)ethyl 1-(cyclopropanecarbonyl)piperidine-4-carboxylate is CC(OC(=O)C1CCN(C(=O)C2CC2)CC1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)ethyl 1-(cyclopropanecarbonyl)piperidine-4-carboxylate?
The InChIKey is FOVCGDZGDAKZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO3/c1-12(13-4-6-16(19)7-5-13)23-18(22)15-8-10-20(11-9-15)17(21)14-2-3-14/h4-7,12,14-15H,2-3,8-11H2,1H3.
What are the key properties of 1-(4-chlorophenyl)ethyl 1-(cyclopropanecarbonyl)piperidine-4-carboxylate?
1-(4-chlorophenyl)ethyl 1-(cyclopropanecarbonyl)piperidine-4-carboxylate has a molecular weight of 335.83 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)ethyl 1-(cyclopropanecarbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 134057444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).