(2S,3S)-1-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]-6-oxo-2-phenylpiperidine-3-carboxamide

C30H34N4O3 — CID 41170583

IUPAC(2S,3S)-1-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]-6-oxo-2-phenylpiperidine-3-carboxamide
SMILESCOc1ccc(N2C(=O)CC[C@H](C(=O)Nc3ccccc3N3CCN(C)CC3)[C@H]2c2ccccc2)cc1
InChIInChI=1S/C30H34N4O3/c1-32-18-20-33(21-19-32)27-11-7-6-10-26(27)31-30(36)25-16-17-28(35)34(23-12-14-24(37-2)15-13-23)29(25)22-8-4-3-5-9-22/h3-15,25,29H,16-21H2,1-2H3,(H,31,36)/t25-,29+/m0/s1
InChIKeyBNCMBOXWQNDJDK-ABYGYWHVSA-N
MW498.63 g/mol
LogP4.57
Rot. Bonds6

About (2S,3S)-1-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]-6-oxo-2-phenylpiperidine-3-carboxamide

(2S,3S)-1-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]-6-oxo-2-phenylpiperidine-3-carboxamide (PubChem CID 41170583) has the molecular formula C30H34N4O3 and a molecular weight of 498.63 g/mol. Its IUPAC name is (2S,3S)-1-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]-6-oxo-2-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-1-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]-6-oxo-2-phenylpiperidine-3-carboxamide
PubChem CID41170583
Molecular FormulaC30H34N4O3
Molecular Weight498.63 g/mol
Exact Mass498.26
IUPAC Name(2S,3S)-1-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]-6-oxo-2-phenylpiperidine-3-carboxamide
SMILESCOc1ccc(N2C(=O)CC[C@H](C(=O)Nc3ccccc3N3CCN(C)CC3)[C@H]2c2ccccc2)cc1
InChIInChI=1S/C30H34N4O3/c1-32-18-20-33(21-19-32)27-11-7-6-10-26(27)31-30(36)25-16-17-28(35)34(23-12-14-24(37-2)15-13-23)29(25)22-8-4-3-5-9-22/h3-15,25,29H,16-21H2,1-2H3,(H,31,36)/t25-,29+/m0/s1
InChIKeyBNCMBOXWQNDJDK-ABYGYWHVSA-N
XLogP4.57
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.63
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3S)-1-(4-methoxyphenyl)-6-oxo-2-phenyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 9398753
(2R,3R)-1-(4-methoxyphenyl)-6-oxo-2-phenyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 9398748
(2S,3S)-N-cyclohexyl-1-(4-methoxyphenyl)-6-oxo-2-phenylpiperidine-3-carboxamide
CID 9398550
(2S,3R)-N-(4-methoxyphenyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide
CID 29132160
N-(4-methoxyphenyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide
CID 42651543
(2S,3S)-N-(2,5-difluorophenyl)-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 26360728
(2S,3S)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-N-(2-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 41250930
(2R,3R)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-N-(2-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 41250931
1-(4-methoxyphenyl)-2-(4-methylphenyl)-6-oxopiperidine-3-carboxylic acid
CID 171320483
(2S,3R)-N-(4-carbamoylphenyl)-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 26252939
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

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-1-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]-6-oxo-2-phenylpiperidine-3-carboxamide?
The IUPAC name of (2S,3S)-1-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]-6-oxo-2-phenylpiperidine-3-carboxamide (CID 41170583) is (2S,3S)-1-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]-6-oxo-2-phenylpiperidine-3-carboxamide.
What is the SMILES notation for (2S,3S)-1-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]-6-oxo-2-phenylpiperidine-3-carboxamide?
The canonical SMILES for (2S,3S)-1-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]-6-oxo-2-phenylpiperidine-3-carboxamide is COc1ccc(N2C(=O)CC[C@H](C(=O)Nc3ccccc3N3CCN(C)CC3)[C@H]2c2ccccc2)cc1.
What is the InChIKey of (2S,3S)-1-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]-6-oxo-2-phenylpiperidine-3-carboxamide?
The InChIKey is BNCMBOXWQNDJDK-ABYGYWHVSA-N. The full InChI is InChI=1S/C30H34N4O3/c1-32-18-20-33(21-19-32)27-11-7-6-10-26(27)31-30(36)25-16-17-28(35)34(23-12-14-24(37-2)15-13-23)29(25)22-8-4-3-5-9-22/h3-15,25,29H,16-21H2,1-2H3,(H,31,36)/t25-,29+/m0/s1.
What are the key properties of (2S,3S)-1-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]-6-oxo-2-phenylpiperidine-3-carboxamide?
(2S,3S)-1-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]-6-oxo-2-phenylpiperidine-3-carboxamide has a molecular weight of 498.63 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-1-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]-6-oxo-2-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 41170583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).