1-(cyclopentanecarbonyl)-6-(4-fluoro-3-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide

C28H35FN2O3 — CID 42870408

IUPAC1-(cyclopentanecarbonyl)-6-(4-fluoro-3-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide
SMILESCOc1ccccc1CCNC(=O)C1CCC(c2ccc(F)c(C)c2)N(C(=O)C2CCCC2)C1
InChIInChI=1S/C28H35FN2O3/c1-19-17-22(11-13-24(19)29)25-14-12-23(18-31(25)28(33)21-8-3-4-9-21)27(32)30-16-15-20-7-5-6-10-26(20)34-2/h5-7,10-11,13,17,21,23,25H,3-4,8-9,12,14-16,18H2,1-2H3,(H,30,32)
InChIKeySKGJVAOXCYDTFF-UHFFFAOYSA-N
MW466.60 g/mol
LogP4.97
Rot. Bonds7

About 1-(cyclopentanecarbonyl)-6-(4-fluoro-3-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide

1-(cyclopentanecarbonyl)-6-(4-fluoro-3-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide (PubChem CID 42870408) has the molecular formula C28H35FN2O3 and a molecular weight of 466.60 g/mol. Its IUPAC name is 1-(cyclopentanecarbonyl)-6-(4-fluoro-3-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(cyclopentanecarbonyl)-6-(4-fluoro-3-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide
PubChem CID42870408
Molecular FormulaC28H35FN2O3
Molecular Weight466.60 g/mol
Exact Mass466.26
IUPAC Name1-(cyclopentanecarbonyl)-6-(4-fluoro-3-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide
SMILESCOc1ccccc1CCNC(=O)C1CCC(c2ccc(F)c(C)c2)N(C(=O)C2CCCC2)C1
InChIInChI=1S/C28H35FN2O3/c1-19-17-22(11-13-24(19)29)25-14-12-23(18-31(25)28(33)21-8-3-4-9-21)27(32)30-16-15-20-7-5-6-10-26(20)34-2/h5-7,10-11,13,17,21,23,25H,3-4,8-9,12,14-16,18H2,1-2H3,(H,30,32)
InChIKeySKGJVAOXCYDTFF-UHFFFAOYSA-N
XLogP4.97
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.60
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,6R)-1-(cyclopentanecarbonyl)-N-[2-(2-methoxyphenyl)ethyl]-6-(3-methylphenyl)piperidine-3-carboxamide
CID 92998904
(3R,6R)-1-(cyclopentanecarbonyl)-N-(cyclopropylmethyl)-6-(4-fluoro-3-methylphenyl)piperidine-3-carboxamide
CID 93001653
(3S,6S)-1-(cyclopropanecarbonyl)-6-(4-fluoro-3-methylphenyl)-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 92996779
1-acetyl-N-[2-(2-methoxyphenyl)ethyl]-6-(3-methylphenyl)piperidine-3-carboxamide
CID 42868375
1-(cyclopentanecarbonyl)-6-(4-fluoro-3-methylphenyl)-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 42866436
(3R,5S)-1-N-benzyl-5-(4-fluoro-3-methylphenyl)-3-N-[2-(2-methoxyphenyl)ethyl]piperidine-1,3-dicarboxamide
CID 93001938
5-(4-fluoro-3-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]-1-prop-2-enylpiperidine-3-carboxamide
CID 42869827
1-butyl-5-(4-fluoro-3-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 42870413
(3R,5S)-1-N-butyl-5-(4-fluoro-3-methylphenyl)-3-N-[2-(2-methoxyphenyl)ethyl]piperidine-1,3-dicarboxamide
CID 93000799
(3R,6S)-1-(cyclopropanecarbonyl)-6-(4-fluorophenyl)-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 93291208
(3S,5S)-1-(cyclopropanecarbonyl)-N-[2-(2-methoxyphenyl)ethyl]-5-phenylpiperidine-3-carboxamide
CID 92998980
1-N-ethyl-6-(4-fluoro-3-methylphenyl)-3-N-(4-methoxyphenyl)piperidine-1,3-dicarboxamide
CID 42866482

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentanecarbonyl)-6-(4-fluoro-3-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide?
The IUPAC name of 1-(cyclopentanecarbonyl)-6-(4-fluoro-3-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide (CID 42870408) is 1-(cyclopentanecarbonyl)-6-(4-fluoro-3-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(cyclopentanecarbonyl)-6-(4-fluoro-3-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(cyclopentanecarbonyl)-6-(4-fluoro-3-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide is COc1ccccc1CCNC(=O)C1CCC(c2ccc(F)c(C)c2)N(C(=O)C2CCCC2)C1.
What is the InChIKey of 1-(cyclopentanecarbonyl)-6-(4-fluoro-3-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide?
The InChIKey is SKGJVAOXCYDTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35FN2O3/c1-19-17-22(11-13-24(19)29)25-14-12-23(18-31(25)28(33)21-8-3-4-9-21)27(32)30-16-15-20-7-5-6-10-26(20)34-2/h5-7,10-11,13,17,21,23,25H,3-4,8-9,12,14-16,18H2,1-2H3,(H,30,32).
What are the key properties of 1-(cyclopentanecarbonyl)-6-(4-fluoro-3-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide?
1-(cyclopentanecarbonyl)-6-(4-fluoro-3-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide has a molecular weight of 466.60 g/mol, XLogP of 4.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentanecarbonyl)-6-(4-fluoro-3-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 42870408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).