ethyl 1-[1-(3-chlorophenyl)piperidine-4-carbonyl]piperidine-4-carboxylate

C20H27ClN2O3 — CID 17152941

IUPACethyl 1-[1-(3-chlorophenyl)piperidine-4-carbonyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C2CCN(c3cccc(Cl)c3)CC2)CC1
InChIInChI=1S/C20H27ClN2O3/c1-2-26-20(25)16-8-12-23(13-9-16)19(24)15-6-10-22(11-7-15)18-5-3-4-17(21)14-18/h3-5,14-16H,2,6-13H2,1H3
InChIKeySFRJPTRNZNORLA-UHFFFAOYSA-N
MW378.90 g/mol
LogP3.36
Rot. Bonds4

About ethyl 1-[1-(3-chlorophenyl)piperidine-4-carbonyl]piperidine-4-carboxylate

ethyl 1-[1-(3-chlorophenyl)piperidine-4-carbonyl]piperidine-4-carboxylate (PubChem CID 17152941) has the molecular formula C20H27ClN2O3 and a molecular weight of 378.90 g/mol. Its IUPAC name is ethyl 1-[1-(3-chlorophenyl)piperidine-4-carbonyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[1-(3-chlorophenyl)piperidine-4-carbonyl]piperidine-4-carboxylate
PubChem CID17152941
Molecular FormulaC20H27ClN2O3
Molecular Weight378.90 g/mol
Exact Mass378.17
IUPAC Nameethyl 1-[1-(3-chlorophenyl)piperidine-4-carbonyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C2CCN(c3cccc(Cl)c3)CC2)CC1
InChIInChI=1S/C20H27ClN2O3/c1-2-26-20(25)16-8-12-23(13-9-16)19(24)15-6-10-22(11-7-15)18-5-3-4-17(21)14-18/h3-5,14-16H,2,6-13H2,1H3
InChIKeySFRJPTRNZNORLA-UHFFFAOYSA-N
XLogP3.36
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.90
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-[1-[(3-chlorophenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxylate
CID 25249218
ethyl 1-(3-aminophenyl)piperidine-4-carboxylate
CID 22060555
[4-[4-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-cyclobutylmethanone
CID 113005178
ethyl 1-(3-aminosulfanylphenyl)piperidine-4-carboxylate
CID 167520133
ethyl 4-(3-chlorophenyl)piperazine-1-carboxylate
CID 3591480
[4-(3-chlorophenyl)piperazin-1-yl]-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]methanone
CID 121118770
[4-(3-chlorophenyl)piperazin-1-yl]-cyclohexylmethanone
CID 798144
ethyl 1-[(3-chlorophenyl)methyl]piperidine-4-carboxylate
CID 764602
[1-(2-chlorobenzoyl)piperidin-4-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 17223304
[4-(3-chlorophenyl)piperazin-1-yl]-[1-(4-methoxybenzoyl)piperidin-4-yl]methanone
CID 126058914
[1-(3-chlorophenyl)piperidin-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 17153069
[4-(3-chlorophenyl)piperazin-1-yl]-(oxan-4-yl)methanone
CID 78802038

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[1-(3-chlorophenyl)piperidine-4-carbonyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[1-(3-chlorophenyl)piperidine-4-carbonyl]piperidine-4-carboxylate (CID 17152941) is ethyl 1-[1-(3-chlorophenyl)piperidine-4-carbonyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[1-(3-chlorophenyl)piperidine-4-carbonyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[1-(3-chlorophenyl)piperidine-4-carbonyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)C2CCN(c3cccc(Cl)c3)CC2)CC1.
What is the InChIKey of ethyl 1-[1-(3-chlorophenyl)piperidine-4-carbonyl]piperidine-4-carboxylate?
The InChIKey is SFRJPTRNZNORLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN2O3/c1-2-26-20(25)16-8-12-23(13-9-16)19(24)15-6-10-22(11-7-15)18-5-3-4-17(21)14-18/h3-5,14-16H,2,6-13H2,1H3.
What are the key properties of ethyl 1-[1-(3-chlorophenyl)piperidine-4-carbonyl]piperidine-4-carboxylate?
ethyl 1-[1-(3-chlorophenyl)piperidine-4-carbonyl]piperidine-4-carboxylate has a molecular weight of 378.90 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[1-(3-chlorophenyl)piperidine-4-carbonyl]piperidine-4-carboxylate is sourced from PubChem (CID 17152941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).