(2R,3S)-1-(1,3-benzodioxol-5-yl)-N-[(2S)-butan-2-yl]-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide

C24H28N2O5 — CID 124773185

IUPAC(2R,3S)-1-(1,3-benzodioxol-5-yl)-N-[(2S)-butan-2-yl]-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
SMILESCC[C@H](C)NC(=O)[C@H]1CCC(=O)N(c2ccc3c(c2)OCO3)[C@H]1c1ccc(OC)cc1
InChIInChI=1S/C24H28N2O5/c1-4-15(2)25-24(28)19-10-12-22(27)26(17-7-11-20-21(13-17)31-14-30-20)23(19)16-5-8-18(29-3)9-6-16/h5-9,11,13,15,19,23H,4,10,12,14H2,1-3H3,(H,25,28)/t15-,19-,23-/m0/s1
InChIKeyYJLQBDQPQIUHKW-FOMLIJIXSA-N
MW424.50 g/mol
LogP3.82
Rot. Bonds6

About (2R,3S)-1-(1,3-benzodioxol-5-yl)-N-[(2S)-butan-2-yl]-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide

(2R,3S)-1-(1,3-benzodioxol-5-yl)-N-[(2S)-butan-2-yl]-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide (PubChem CID 124773185) has the molecular formula C24H28N2O5 and a molecular weight of 424.50 g/mol. Its IUPAC name is (2R,3S)-1-(1,3-benzodioxol-5-yl)-N-[(2S)-butan-2-yl]-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-1-(1,3-benzodioxol-5-yl)-N-[(2S)-butan-2-yl]-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
PubChem CID124773185
Molecular FormulaC24H28N2O5
Molecular Weight424.50 g/mol
Exact Mass424.20
IUPAC Name(2R,3S)-1-(1,3-benzodioxol-5-yl)-N-[(2S)-butan-2-yl]-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
SMILESCC[C@H](C)NC(=O)[C@H]1CCC(=O)N(c2ccc3c(c2)OCO3)[C@H]1c1ccc(OC)cc1
InChIInChI=1S/C24H28N2O5/c1-4-15(2)25-24(28)19-10-12-22(27)26(17-7-11-20-21(13-17)31-14-30-20)23(19)16-5-8-18(29-3)9-6-16/h5-9,11,13,15,19,23H,4,10,12,14H2,1-3H3,(H,25,28)/t15-,19-,23-/m0/s1
InChIKeyYJLQBDQPQIUHKW-FOMLIJIXSA-N
XLogP3.82
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5R,6S)-5-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-6-(4-fluorophenyl)-1-(4-methoxyphenyl)piperidin-2-one
CID 94850263
1,2-bis(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 55345936
N-cyclopentyl-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 43007439
[2-oxo-2-(pentan-3-ylamino)ethyl] (2R,3R)-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate
CID 41071182
1-(1,3-benzodioxol-5-yl)-5-(pyrrolidine-1-carbonyl)-6-(3,4,5-trimethoxyphenyl)piperidin-2-one
CID 15998371
N-cyclohexyl-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 15993815
(2S,3S)-2-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 26917847
N-[3-(dimethylamino)propyl]-2-(4-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 112767965
(2S,3R)-2-(4-methoxyphenyl)-N-(3-methylbutyl)-6-oxo-1-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide
CID 92653117
(2S,3R)-1,2-bis(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide
CID 92653033
2-(3,4-dimethoxyphenyl)-N-(1-methoxypropan-2-yl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 24639536
(2S,3S)-N-(2,5-difluorophenyl)-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 26360728

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-1-(1,3-benzodioxol-5-yl)-N-[(2S)-butan-2-yl]-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of (2R,3S)-1-(1,3-benzodioxol-5-yl)-N-[(2S)-butan-2-yl]-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide (CID 124773185) is (2R,3S)-1-(1,3-benzodioxol-5-yl)-N-[(2S)-butan-2-yl]-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (2R,3S)-1-(1,3-benzodioxol-5-yl)-N-[(2S)-butan-2-yl]-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (2R,3S)-1-(1,3-benzodioxol-5-yl)-N-[(2S)-butan-2-yl]-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide is CC[C@H](C)NC(=O)[C@H]1CCC(=O)N(c2ccc3c(c2)OCO3)[C@H]1c1ccc(OC)cc1.
What is the InChIKey of (2R,3S)-1-(1,3-benzodioxol-5-yl)-N-[(2S)-butan-2-yl]-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is YJLQBDQPQIUHKW-FOMLIJIXSA-N. The full InChI is InChI=1S/C24H28N2O5/c1-4-15(2)25-24(28)19-10-12-22(27)26(17-7-11-20-21(13-17)31-14-30-20)23(19)16-5-8-18(29-3)9-6-16/h5-9,11,13,15,19,23H,4,10,12,14H2,1-3H3,(H,25,28)/t15-,19-,23-/m0/s1.
What are the key properties of (2R,3S)-1-(1,3-benzodioxol-5-yl)-N-[(2S)-butan-2-yl]-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide?
(2R,3S)-1-(1,3-benzodioxol-5-yl)-N-[(2S)-butan-2-yl]-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 424.50 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-1-(1,3-benzodioxol-5-yl)-N-[(2S)-butan-2-yl]-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 124773185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).