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

C28H36N2O3 — CID 92998904

IUPAC(3R,6R)-1-(cyclopentanecarbonyl)-N-[2-(2-methoxyphenyl)ethyl]-6-(3-methylphenyl)piperidine-3-carboxamide
SMILESCOc1ccccc1CCNC(=O)[C@@H]1CC[C@H](c2cccc(C)c2)N(C(=O)C2CCCC2)C1
InChIInChI=1S/C28H36N2O3/c1-20-8-7-12-23(18-20)25-15-14-24(19-30(25)28(32)22-10-3-4-11-22)27(31)29-17-16-21-9-5-6-13-26(21)33-2/h5-9,12-13,18,22,24-25H,3-4,10-11,14-17,19H2,1-2H3,(H,29,31)/t24-,25-/m1/s1
InChIKeyBMRZIOXRTCGLTR-JWQCQUIFSA-N
MW448.61 g/mol
LogP4.83
Rot. Bonds7

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

(3R,6R)-1-(cyclopentanecarbonyl)-N-[2-(2-methoxyphenyl)ethyl]-6-(3-methylphenyl)piperidine-3-carboxamide (PubChem CID 92998904) has the molecular formula C28H36N2O3 and a molecular weight of 448.61 g/mol. Its IUPAC name is (3R,6R)-1-(cyclopentanecarbonyl)-N-[2-(2-methoxyphenyl)ethyl]-6-(3-methylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,6R)-1-(cyclopentanecarbonyl)-N-[2-(2-methoxyphenyl)ethyl]-6-(3-methylphenyl)piperidine-3-carboxamide
PubChem CID92998904
Molecular FormulaC28H36N2O3
Molecular Weight448.61 g/mol
Exact Mass448.27
IUPAC Name(3R,6R)-1-(cyclopentanecarbonyl)-N-[2-(2-methoxyphenyl)ethyl]-6-(3-methylphenyl)piperidine-3-carboxamide
SMILESCOc1ccccc1CCNC(=O)[C@@H]1CC[C@H](c2cccc(C)c2)N(C(=O)C2CCCC2)C1
InChIInChI=1S/C28H36N2O3/c1-20-8-7-12-23(18-20)25-15-14-24(19-30(25)28(32)22-10-3-4-11-22)27(31)29-17-16-21-9-5-6-13-26(21)33-2/h5-9,12-13,18,22,24-25H,3-4,10-11,14-17,19H2,1-2H3,(H,29,31)/t24-,25-/m1/s1
InChIKeyBMRZIOXRTCGLTR-JWQCQUIFSA-N
XLogP4.83
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.61
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R,6R)-1-(cyclopentanecarbonyl)-N-[2-(2-methoxyphenyl)ethyl]-6-(3-methylphenyl)piperidine-3-carboxamide with MolForge

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Related Compounds

1-acetyl-N-[2-(2-methoxyphenyl)ethyl]-6-(3-methylphenyl)piperidine-3-carboxamide
CID 42868375
1-(cyclopentanecarbonyl)-6-(4-fluoro-3-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 42870408
(3R,6R)-1-(cyclopentanecarbonyl)-N-ethyl-6-(3-methylphenyl)piperidine-3-carboxamide
CID 93328136
(3S,6R)-1-(cyclopentanecarbonyl)-N-ethyl-6-(3-methylphenyl)piperidine-3-carboxamide
CID 93328137
1-(cyclopentanecarbonyl)-N-(2,4-dimethoxyphenyl)-6-(3-methylphenyl)piperidine-3-carboxamide
CID 42868383
(3S,6R)-N-[(2S)-butan-2-yl]-1-(cyclopentanecarbonyl)-6-(3-methylphenyl)piperidine-3-carboxamide
CID 93328301
(3S,5S)-1-(cyclopropanecarbonyl)-N-[2-(2-methoxyphenyl)ethyl]-5-phenylpiperidine-3-carboxamide
CID 92998980
1-[(2-fluorophenyl)methyl]-N-[2-(2-methoxyphenyl)ethyl]-5-(3-methylphenyl)piperidine-3-carboxamide
CID 46069460
[(2S,5R)-5-(4-benzylpiperidine-1-carbonyl)-2-(3-methylphenyl)piperidin-1-yl]-cyclopentylmethanone
CID 92998907
(3R,6R)-1-(cyclopropanecarbonyl)-N-(2-methoxyethyl)-6-phenylpiperidine-3-carboxamide
CID 93328250
(3R,6S)-1-acetyl-6-(cyclopentylamino)-N-[2-(2-methoxyphenyl)ethyl]azepane-3-carboxamide
CID 171386219
(3R,6R)-1-(cyclopentanecarbonyl)-N-(cyclopropylmethyl)-6-(4-fluoro-3-methylphenyl)piperidine-3-carboxamide
CID 93001653

Frequently Asked Questions

What is the IUPAC name of (3R,6R)-1-(cyclopentanecarbonyl)-N-[2-(2-methoxyphenyl)ethyl]-6-(3-methylphenyl)piperidine-3-carboxamide?
The IUPAC name of (3R,6R)-1-(cyclopentanecarbonyl)-N-[2-(2-methoxyphenyl)ethyl]-6-(3-methylphenyl)piperidine-3-carboxamide (CID 92998904) is (3R,6R)-1-(cyclopentanecarbonyl)-N-[2-(2-methoxyphenyl)ethyl]-6-(3-methylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R,6R)-1-(cyclopentanecarbonyl)-N-[2-(2-methoxyphenyl)ethyl]-6-(3-methylphenyl)piperidine-3-carboxamide?
The canonical SMILES for (3R,6R)-1-(cyclopentanecarbonyl)-N-[2-(2-methoxyphenyl)ethyl]-6-(3-methylphenyl)piperidine-3-carboxamide is COc1ccccc1CCNC(=O)[C@@H]1CC[C@H](c2cccc(C)c2)N(C(=O)C2CCCC2)C1.
What is the InChIKey of (3R,6R)-1-(cyclopentanecarbonyl)-N-[2-(2-methoxyphenyl)ethyl]-6-(3-methylphenyl)piperidine-3-carboxamide?
The InChIKey is BMRZIOXRTCGLTR-JWQCQUIFSA-N. The full InChI is InChI=1S/C28H36N2O3/c1-20-8-7-12-23(18-20)25-15-14-24(19-30(25)28(32)22-10-3-4-11-22)27(31)29-17-16-21-9-5-6-13-26(21)33-2/h5-9,12-13,18,22,24-25H,3-4,10-11,14-17,19H2,1-2H3,(H,29,31)/t24-,25-/m1/s1.
What are the key properties of (3R,6R)-1-(cyclopentanecarbonyl)-N-[2-(2-methoxyphenyl)ethyl]-6-(3-methylphenyl)piperidine-3-carboxamide?
(3R,6R)-1-(cyclopentanecarbonyl)-N-[2-(2-methoxyphenyl)ethyl]-6-(3-methylphenyl)piperidine-3-carboxamide has a molecular weight of 448.61 g/mol, XLogP of 4.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6R)-1-(cyclopentanecarbonyl)-N-[2-(2-methoxyphenyl)ethyl]-6-(3-methylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 92998904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).