(2S,3S)-2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-oxo-1-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide

C30H34N2O7 — CID 98186464

IUPAC(2S,3S)-2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-oxo-1-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide
SMILESCOc1ccc(C2[C@@H](C(=O)NCc3ccccc3OC)CCC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C30H34N2O7/c1-35-22-12-10-19(11-13-22)28-23(30(34)31-18-20-8-6-7-9-24(20)36-2)14-15-27(33)32(28)21-16-25(37-3)29(39-5)26(17-21)38-4/h6-13,16-17,23,28H,14-15,18H2,1-5H3,(H,31,34)/t23-,28?/m0/s1
InChIKeyBZPYWKQEIKEPLY-UHFKCPIBSA-N
MW534.61 g/mol
LogP4.53
Rot. Bonds10

About (2S,3S)-2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-oxo-1-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide

(2S,3S)-2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-oxo-1-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide (PubChem CID 98186464) has the molecular formula C30H34N2O7 and a molecular weight of 534.61 g/mol. Its IUPAC name is (2S,3S)-2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-oxo-1-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-oxo-1-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide
PubChem CID98186464
Molecular FormulaC30H34N2O7
Molecular Weight534.61 g/mol
Exact Mass534.24
IUPAC Name(2S,3S)-2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-oxo-1-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide
SMILESCOc1ccc(C2[C@@H](C(=O)NCc3ccccc3OC)CCC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C30H34N2O7/c1-35-22-12-10-19(11-13-22)28-23(30(34)31-18-20-8-6-7-9-24(20)36-2)14-15-27(33)32(28)21-16-25(37-3)29(39-5)26(17-21)38-4/h6-13,16-17,23,28H,14-15,18H2,1-5H3,(H,31,34)/t23-,28?/m0/s1
InChIKeyBZPYWKQEIKEPLY-UHFKCPIBSA-N
XLogP4.53
TPSA95.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.61
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 22421992
(2S,3R)-2-(4-methoxyphenyl)-N-(3-methylbutyl)-6-oxo-1-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide
CID 92653117
N-(3-methoxyphenyl)-2-(4-methoxyphenyl)-6-oxo-1-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide
CID 22423048
(2S,3S)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(4-methoxyphenyl)-6-oxo-1-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide
CID 98186492
N-(3-chloro-4-methoxyphenyl)-2-(4-methoxyphenyl)-6-oxo-1-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide
CID 46506178
1,2-bis(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 55345936
(5S,6S)-5-(4-benzylpiperazine-1-carbonyl)-6-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)piperidin-2-one
CID 98186477
(2R,3R)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)-6-oxo-1-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide
CID 98186421
(2S,3S)-2-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 26917847
(2R,3S)-N-[(2-fluorophenyl)methyl]-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 95740203
5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-6-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)piperidin-2-one
CID 22423060
N-[2-(4-fluorophenyl)ethyl]-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 42989394

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-oxo-1-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide?
The IUPAC name of (2S,3S)-2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-oxo-1-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide (CID 98186464) is (2S,3S)-2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-oxo-1-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide.
What is the SMILES notation for (2S,3S)-2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-oxo-1-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide?
The canonical SMILES for (2S,3S)-2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-oxo-1-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide is COc1ccc(C2[C@@H](C(=O)NCc3ccccc3OC)CCC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1.
What is the InChIKey of (2S,3S)-2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-oxo-1-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide?
The InChIKey is BZPYWKQEIKEPLY-UHFKCPIBSA-N. The full InChI is InChI=1S/C30H34N2O7/c1-35-22-12-10-19(11-13-22)28-23(30(34)31-18-20-8-6-7-9-24(20)36-2)14-15-27(33)32(28)21-16-25(37-3)29(39-5)26(17-21)38-4/h6-13,16-17,23,28H,14-15,18H2,1-5H3,(H,31,34)/t23-,28?/m0/s1.
What are the key properties of (2S,3S)-2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-oxo-1-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide?
(2S,3S)-2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-oxo-1-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide has a molecular weight of 534.61 g/mol, XLogP of 4.53, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-oxo-1-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 98186464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).