ethyl 1-[1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)piperidine-3-carbonyl]piperidine-3-carboxylate

C28H40N2O4 — CID 46065240

IUPACethyl 1-[1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)piperidine-3-carbonyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)C2CC(c3ccc(CC)cc3)CN(C(=O)C3CCCC3)C2)C1
InChIInChI=1S/C28H40N2O4/c1-3-20-11-13-21(14-12-20)24-16-25(19-30(18-24)26(31)22-8-5-6-9-22)27(32)29-15-7-10-23(17-29)28(33)34-4-2/h11-14,22-25H,3-10,15-19H2,1-2H3
InChIKeyAEGQURNWDZAYGK-UHFFFAOYSA-N
MW468.64 g/mol
LogP4.17
Rot. Bonds6

About ethyl 1-[1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)piperidine-3-carbonyl]piperidine-3-carboxylate

ethyl 1-[1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)piperidine-3-carbonyl]piperidine-3-carboxylate (PubChem CID 46065240) has the molecular formula C28H40N2O4 and a molecular weight of 468.64 g/mol. Its IUPAC name is ethyl 1-[1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)piperidine-3-carbonyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)piperidine-3-carbonyl]piperidine-3-carboxylate
PubChem CID46065240
Molecular FormulaC28H40N2O4
Molecular Weight468.64 g/mol
Exact Mass468.30
IUPAC Nameethyl 1-[1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)piperidine-3-carbonyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)C2CC(c3ccc(CC)cc3)CN(C(=O)C3CCCC3)C2)C1
InChIInChI=1S/C28H40N2O4/c1-3-20-11-13-21(14-12-20)24-16-25(19-30(18-24)26(31)22-8-5-6-9-22)27(32)29-15-7-10-23(17-29)28(33)34-4-2/h11-14,22-25H,3-10,15-19H2,1-2H3
InChIKeyAEGQURNWDZAYGK-UHFFFAOYSA-N
XLogP4.17
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.64
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (3R)-1-[(3R,5R)-1-acetyl-5-(3-methylphenyl)piperidine-3-carbonyl]piperidine-3-carboxylate
CID 92995295
1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)-N-prop-2-enylpiperidine-3-carboxamide
CID 42865370
ethyl (3S)-1-[(3S,5R)-5-(3,4-dimethoxyphenyl)-1-(2-methoxyacetyl)piperidine-3-carbonyl]piperidine-3-carboxylate
CID 92995438
[1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)piperidin-3-yl] hydrogen carbonate
CID 66701395
ethyl (3R)-1-[(3R,5R)-5-phenyl-1-(2-thiophen-2-ylacetyl)piperidine-3-carbonyl]piperidine-3-carboxylate
CID 93001860
ethyl 1-[4-(4-ethylphenyl)-4-oxobutanoyl]piperidine-3-carboxylate
CID 78782505
ethyl 1-[1-[(3-methoxyphenyl)carbamoyl]-5-phenylpiperidine-3-carbonyl]piperidine-3-carboxylate
CID 42865473
ethyl 1-[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]piperidine-3-carboxylate
CID 55363206
3-(3-ethoxycarbonylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103549686
ethyl 1-[1-(furan-2-carbonyl)piperidine-4-carbonyl]piperidine-3-carboxylate
CID 17081710
ethyl 1-[2-(4-methylphenyl)acetyl]piperidine-3-carboxylate
CID 2940373
ethyl 1-[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylate
CID 46109609

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)piperidine-3-carbonyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)piperidine-3-carbonyl]piperidine-3-carboxylate (CID 46065240) is ethyl 1-[1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)piperidine-3-carbonyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)piperidine-3-carbonyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)piperidine-3-carbonyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)C2CC(c3ccc(CC)cc3)CN(C(=O)C3CCCC3)C2)C1.
What is the InChIKey of ethyl 1-[1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)piperidine-3-carbonyl]piperidine-3-carboxylate?
The InChIKey is AEGQURNWDZAYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N2O4/c1-3-20-11-13-21(14-12-20)24-16-25(19-30(18-24)26(31)22-8-5-6-9-22)27(32)29-15-7-10-23(17-29)28(33)34-4-2/h11-14,22-25H,3-10,15-19H2,1-2H3.
What are the key properties of ethyl 1-[1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)piperidine-3-carbonyl]piperidine-3-carboxylate?
ethyl 1-[1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)piperidine-3-carbonyl]piperidine-3-carboxylate has a molecular weight of 468.64 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)piperidine-3-carbonyl]piperidine-3-carboxylate is sourced from PubChem (CID 46065240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).