ethyl 1-[1-[(3-methoxyphenyl)carbamoyl]-5-phenylpiperidine-3-carbonyl]piperidine-3-carboxylate

C28H35N3O5 — CID 42865473

IUPACethyl 1-[1-[(3-methoxyphenyl)carbamoyl]-5-phenylpiperidine-3-carbonyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)C2CC(c3ccccc3)CN(C(=O)Nc3cccc(OC)c3)C2)C1
InChIInChI=1S/C28H35N3O5/c1-3-36-27(33)21-11-8-14-30(17-21)26(32)23-15-22(20-9-5-4-6-10-20)18-31(19-23)28(34)29-24-12-7-13-25(16-24)35-2/h4-7,9-10,12-13,16,21-23H,3,8,11,14-15,17-19H2,1-2H3,(H,29,34)
InChIKeyPAVFMFPHGVBCCO-UHFFFAOYSA-N
MW493.60 g/mol
LogP4.13
Rot. Bonds6

About ethyl 1-[1-[(3-methoxyphenyl)carbamoyl]-5-phenylpiperidine-3-carbonyl]piperidine-3-carboxylate

ethyl 1-[1-[(3-methoxyphenyl)carbamoyl]-5-phenylpiperidine-3-carbonyl]piperidine-3-carboxylate (PubChem CID 42865473) has the molecular formula C28H35N3O5 and a molecular weight of 493.60 g/mol. Its IUPAC name is ethyl 1-[1-[(3-methoxyphenyl)carbamoyl]-5-phenylpiperidine-3-carbonyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[1-[(3-methoxyphenyl)carbamoyl]-5-phenylpiperidine-3-carbonyl]piperidine-3-carboxylate
PubChem CID42865473
Molecular FormulaC28H35N3O5
Molecular Weight493.60 g/mol
Exact Mass493.26
IUPAC Nameethyl 1-[1-[(3-methoxyphenyl)carbamoyl]-5-phenylpiperidine-3-carbonyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)C2CC(c3ccccc3)CN(C(=O)Nc3cccc(OC)c3)C2)C1
InChIInChI=1S/C28H35N3O5/c1-3-36-27(33)21-11-8-14-30(17-21)26(32)23-15-22(20-9-5-4-6-10-20)18-31(19-23)28(34)29-24-12-7-13-25(16-24)35-2/h4-7,9-10,12-13,16,21-23H,3,8,11,14-15,17-19H2,1-2H3,(H,29,34)
InChIKeyPAVFMFPHGVBCCO-UHFFFAOYSA-N
XLogP4.13
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.60
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (3S)-1-[(3-ethylphenyl)carbamoyl]piperidine-3-carboxylate
CID 51664598
ethyl 1-[(3-fluorophenyl)carbamoyl]piperidine-3-carboxylate
CID 44759797
ethyl (3R)-1-[(3R,5R)-1-acetyl-5-(3-methylphenyl)piperidine-3-carbonyl]piperidine-3-carboxylate
CID 92995295
(3R,5R)-1-N-(3-methoxyphenyl)-5-phenyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide
CID 92995542
3-N,3-N-diethyl-1-N-(3-methoxyphenyl)piperidine-1,3-dicarboxamide
CID 3872908
3-N-(3-methoxyphenyl)-5-phenyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 42865487
ethyl 1-[3-[(3-methoxyphenyl)carbamoyl-(2-phenylethyl)amino]propanoyl]piperidine-3-carboxylate
CID 3613076
ethyl (3R)-1-[(3R,5R)-5-phenyl-1-(2-thiophen-2-ylacetyl)piperidine-3-carbonyl]piperidine-3-carboxylate
CID 93001860
ethyl 1-[1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)piperidine-3-carbonyl]piperidine-3-carboxylate
CID 46065240
1-N-(3-methoxyphenyl)-5-(3-methylphenyl)-3-N-prop-2-enylpiperidine-1,3-dicarboxamide
CID 46065416
1-N-(3-methoxyphenyl)-5-(3-methylphenyl)-3-N-(1-phenylethyl)piperidine-1,3-dicarboxamide
CID 42865431
(3S)-3-N-tert-butyl-1-N-(3-methoxyphenyl)piperidine-1,3-dicarboxamide
CID 7435243

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[1-[(3-methoxyphenyl)carbamoyl]-5-phenylpiperidine-3-carbonyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[1-[(3-methoxyphenyl)carbamoyl]-5-phenylpiperidine-3-carbonyl]piperidine-3-carboxylate (CID 42865473) is ethyl 1-[1-[(3-methoxyphenyl)carbamoyl]-5-phenylpiperidine-3-carbonyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[1-[(3-methoxyphenyl)carbamoyl]-5-phenylpiperidine-3-carbonyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[1-[(3-methoxyphenyl)carbamoyl]-5-phenylpiperidine-3-carbonyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)C2CC(c3ccccc3)CN(C(=O)Nc3cccc(OC)c3)C2)C1.
What is the InChIKey of ethyl 1-[1-[(3-methoxyphenyl)carbamoyl]-5-phenylpiperidine-3-carbonyl]piperidine-3-carboxylate?
The InChIKey is PAVFMFPHGVBCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N3O5/c1-3-36-27(33)21-11-8-14-30(17-21)26(32)23-15-22(20-9-5-4-6-10-20)18-31(19-23)28(34)29-24-12-7-13-25(16-24)35-2/h4-7,9-10,12-13,16,21-23H,3,8,11,14-15,17-19H2,1-2H3,(H,29,34).
What are the key properties of ethyl 1-[1-[(3-methoxyphenyl)carbamoyl]-5-phenylpiperidine-3-carbonyl]piperidine-3-carboxylate?
ethyl 1-[1-[(3-methoxyphenyl)carbamoyl]-5-phenylpiperidine-3-carbonyl]piperidine-3-carboxylate has a molecular weight of 493.60 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[1-[(3-methoxyphenyl)carbamoyl]-5-phenylpiperidine-3-carbonyl]piperidine-3-carboxylate is sourced from PubChem (CID 42865473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).