1-(cyclopropanecarbonyl)-6-(4-ethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide

C27H34N2O3 — CID 71955066

IUPAC1-(cyclopropanecarbonyl)-6-(4-ethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide
SMILESCCc1ccc(C2CCC(C(=O)NCCc3ccc(OC)cc3)CN2C(=O)C2CC2)cc1
InChIInChI=1S/C27H34N2O3/c1-3-19-4-8-21(9-5-19)25-15-12-23(18-29(25)27(31)22-10-11-22)26(30)28-17-16-20-6-13-24(32-2)14-7-20/h4-9,13-14,22-23,25H,3,10-12,15-18H2,1-2H3,(H,28,30)
InChIKeyDJMUCIANAZNVRW-UHFFFAOYSA-N
MW434.58 g/mol
LogP4.31
Rot. Bonds8

About 1-(cyclopropanecarbonyl)-6-(4-ethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide

1-(cyclopropanecarbonyl)-6-(4-ethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide (PubChem CID 71955066) has the molecular formula C27H34N2O3 and a molecular weight of 434.58 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-6-(4-ethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-6-(4-ethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide
PubChem CID71955066
Molecular FormulaC27H34N2O3
Molecular Weight434.58 g/mol
Exact Mass434.26
IUPAC Name1-(cyclopropanecarbonyl)-6-(4-ethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide
SMILESCCc1ccc(C2CCC(C(=O)NCCc3ccc(OC)cc3)CN2C(=O)C2CC2)cc1
InChIInChI=1S/C27H34N2O3/c1-3-19-4-8-21(9-5-19)25-15-12-23(18-29(25)27(31)22-10-11-22)26(30)28-17-16-20-6-13-24(32-2)14-7-20/h4-9,13-14,22-23,25H,3,10-12,15-18H2,1-2H3,(H,28,30)
InChIKeyDJMUCIANAZNVRW-UHFFFAOYSA-N
XLogP4.31
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.58
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-ethylphenyl)-1-(2-methoxyacetyl)-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 42865313
1-acetyl-6-(4-fluoro-3-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 46067533
N-[2-(4-methoxyphenyl)ethyl]-6-phenyl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxamide
CID 42869831
(3R,6S)-1-(cyclopropanecarbonyl)-6-(4-fluorophenyl)-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 93291208
(3R,6R)-1-(cyclopropanecarbonyl)-N-(2-methoxyethyl)-6-phenylpiperidine-3-carboxamide
CID 93328250
4-[2-(4-methoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672169
(3S,6S)-N-[2-(4-methoxyphenyl)ethyl]-1-[(3-methoxyphenyl)methyl]-6-phenylpiperidine-3-carboxamide
CID 92984850
(3S,4S)-4-[4-[(cyclopropanecarbonylamino)methyl]phenyl]-N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrrolidine-3-carboxamide
CID 125022795
6-(4-ethylphenyl)-1-(2-methoxyacetyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 46065283
4-N-(4-fluorophenyl)-1-N-[2-(4-methoxyphenyl)ethyl]cyclohexane-1,4-dicarboxamide
CID 109149176
4-[2-(4-ethylphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673281
N-[2-(4-methoxyphenyl)ethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55713699

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-6-(4-ethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide?
The IUPAC name of 1-(cyclopropanecarbonyl)-6-(4-ethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide (CID 71955066) is 1-(cyclopropanecarbonyl)-6-(4-ethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-6-(4-ethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(cyclopropanecarbonyl)-6-(4-ethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide is CCc1ccc(C2CCC(C(=O)NCCc3ccc(OC)cc3)CN2C(=O)C2CC2)cc1.
What is the InChIKey of 1-(cyclopropanecarbonyl)-6-(4-ethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide?
The InChIKey is DJMUCIANAZNVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O3/c1-3-19-4-8-21(9-5-19)25-15-12-23(18-29(25)27(31)22-10-11-22)26(30)28-17-16-20-6-13-24(32-2)14-7-20/h4-9,13-14,22-23,25H,3,10-12,15-18H2,1-2H3,(H,28,30).
What are the key properties of 1-(cyclopropanecarbonyl)-6-(4-ethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide?
1-(cyclopropanecarbonyl)-6-(4-ethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide has a molecular weight of 434.58 g/mol, XLogP of 4.31, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-6-(4-ethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 71955066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).