(3S,5S)-1-(cyclopropanecarbonyl)-N-[2-(2-methoxyphenyl)ethyl]-5-phenylpiperidine-3-carboxamide

C25H30N2O3 — CID 92998980

IUPAC(3S,5S)-1-(cyclopropanecarbonyl)-N-[2-(2-methoxyphenyl)ethyl]-5-phenylpiperidine-3-carboxamide
SMILESCOc1ccccc1CCNC(=O)[C@H]1C[C@@H](c2ccccc2)CN(C(=O)C2CC2)C1
InChIInChI=1S/C25H30N2O3/c1-30-23-10-6-5-9-19(23)13-14-26-24(28)22-15-21(18-7-3-2-4-8-18)16-27(17-22)25(29)20-11-12-20/h2-10,20-22H,11-17H2,1H3,(H,26,28)/t21-,22+/m1/s1
InChIKeyJKUXKAHUPAETAZ-YADHBBJMSA-N
MW406.53 g/mol
LogP3.40
Rot. Bonds7

About (3S,5S)-1-(cyclopropanecarbonyl)-N-[2-(2-methoxyphenyl)ethyl]-5-phenylpiperidine-3-carboxamide

(3S,5S)-1-(cyclopropanecarbonyl)-N-[2-(2-methoxyphenyl)ethyl]-5-phenylpiperidine-3-carboxamide (PubChem CID 92998980) has the molecular formula C25H30N2O3 and a molecular weight of 406.53 g/mol. Its IUPAC name is (3S,5S)-1-(cyclopropanecarbonyl)-N-[2-(2-methoxyphenyl)ethyl]-5-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S,5S)-1-(cyclopropanecarbonyl)-N-[2-(2-methoxyphenyl)ethyl]-5-phenylpiperidine-3-carboxamide
PubChem CID92998980
Molecular FormulaC25H30N2O3
Molecular Weight406.53 g/mol
Exact Mass406.23
IUPAC Name(3S,5S)-1-(cyclopropanecarbonyl)-N-[2-(2-methoxyphenyl)ethyl]-5-phenylpiperidine-3-carboxamide
SMILESCOc1ccccc1CCNC(=O)[C@H]1C[C@@H](c2ccccc2)CN(C(=O)C2CC2)C1
InChIInChI=1S/C25H30N2O3/c1-30-23-10-6-5-9-19(23)13-14-26-24(28)22-15-21(18-7-3-2-4-8-18)16-27(17-22)25(29)20-11-12-20/h2-10,20-22H,11-17H2,1H3,(H,26,28)/t21-,22+/m1/s1
InChIKeyJKUXKAHUPAETAZ-YADHBBJMSA-N
XLogP3.40
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-1-(cyclopropanecarbonyl)-5-(3,4-dimethoxyphenyl)piperidine-3-carboxamide
CID 46065112
(3R,5R)-N-benzyl-1-(cyclopropanecarbonyl)-5-phenylpiperidine-3-carboxamide
CID 92994779
1-(cyclopropanecarbonyl)-5-(3,4-dimethoxyphenyl)-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 42865379
(3R,5S)-1-N-benzyl-5-(4-fluoro-3-methylphenyl)-3-N-[2-(2-methoxyphenyl)ethyl]piperidine-1,3-dicarboxamide
CID 93001938
1-[(2-fluorophenyl)methyl]-N-[2-(2-methoxyphenyl)ethyl]-5-(3-methylphenyl)piperidine-3-carboxamide
CID 46069460
(3R,6S)-1-acetyl-6-(cyclopentylamino)-N-[2-(2-methoxyphenyl)ethyl]azepane-3-carboxamide
CID 171386219
(3R,6R)-1-(cyclopentanecarbonyl)-N-[2-(2-methoxyphenyl)ethyl]-6-(3-methylphenyl)piperidine-3-carboxamide
CID 92998904
(3R,5S)-1-N-butyl-5-(4-fluoro-3-methylphenyl)-3-N-[2-(2-methoxyphenyl)ethyl]piperidine-1,3-dicarboxamide
CID 93000799
(3S,5R)-1-(4-methoxybenzoyl)-5-phenyl-N-(2-phenylethyl)piperidine-3-carboxamide
CID 92994736
N-[2-(2-methoxyphenyl)ethyl]azetidine-3-carboxamide
CID 113411784
(3R,5S)-1-(3,4-dimethoxybenzoyl)-N-(2-methoxyethyl)-5-phenylpiperidine-3-carboxamide
CID 92994853
N-[4-[2-(2-methoxyphenyl)ethylamino]-4-oxobutyl]cyclopropanecarboxamide
CID 39930096

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-1-(cyclopropanecarbonyl)-N-[2-(2-methoxyphenyl)ethyl]-5-phenylpiperidine-3-carboxamide?
The IUPAC name of (3S,5S)-1-(cyclopropanecarbonyl)-N-[2-(2-methoxyphenyl)ethyl]-5-phenylpiperidine-3-carboxamide (CID 92998980) is (3S,5S)-1-(cyclopropanecarbonyl)-N-[2-(2-methoxyphenyl)ethyl]-5-phenylpiperidine-3-carboxamide.
What is the SMILES notation for (3S,5S)-1-(cyclopropanecarbonyl)-N-[2-(2-methoxyphenyl)ethyl]-5-phenylpiperidine-3-carboxamide?
The canonical SMILES for (3S,5S)-1-(cyclopropanecarbonyl)-N-[2-(2-methoxyphenyl)ethyl]-5-phenylpiperidine-3-carboxamide is COc1ccccc1CCNC(=O)[C@H]1C[C@@H](c2ccccc2)CN(C(=O)C2CC2)C1.
What is the InChIKey of (3S,5S)-1-(cyclopropanecarbonyl)-N-[2-(2-methoxyphenyl)ethyl]-5-phenylpiperidine-3-carboxamide?
The InChIKey is JKUXKAHUPAETAZ-YADHBBJMSA-N. The full InChI is InChI=1S/C25H30N2O3/c1-30-23-10-6-5-9-19(23)13-14-26-24(28)22-15-21(18-7-3-2-4-8-18)16-27(17-22)25(29)20-11-12-20/h2-10,20-22H,11-17H2,1H3,(H,26,28)/t21-,22+/m1/s1.
What are the key properties of (3S,5S)-1-(cyclopropanecarbonyl)-N-[2-(2-methoxyphenyl)ethyl]-5-phenylpiperidine-3-carboxamide?
(3S,5S)-1-(cyclopropanecarbonyl)-N-[2-(2-methoxyphenyl)ethyl]-5-phenylpiperidine-3-carboxamide has a molecular weight of 406.53 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-1-(cyclopropanecarbonyl)-N-[2-(2-methoxyphenyl)ethyl]-5-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 92998980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).