4-N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide

C24H32N4O3 — CID 9220209

IUPAC4-N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide
SMILESCOc1ccccc1[C@H](CNC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)N(C)C
InChIInChI=1S/C24H32N4O3/c1-27(2)21(20-11-7-8-12-22(20)31-3)17-25-23(29)18-13-15-28(16-14-18)24(30)26-19-9-5-4-6-10-19/h4-12,18,21H,13-17H2,1-3H3,(H,25,29)(H,26,30)/t21-/m0/s1
InChIKeySLKTUHDNMGYPNX-NRFANRHFSA-N
MW424.55 g/mol
LogP3.36
Rot. Bonds7

About 4-N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide

4-N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide (PubChem CID 9220209) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is 4-N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide
PubChem CID9220209
Molecular FormulaC24H32N4O3
Molecular Weight424.55 g/mol
Exact Mass424.25
IUPAC Name4-N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide
SMILESCOc1ccccc1[C@H](CNC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)N(C)C
InChIInChI=1S/C24H32N4O3/c1-27(2)21(20-11-7-8-12-22(20)31-3)17-25-23(29)18-13-15-28(16-14-18)24(30)26-19-9-5-4-6-10-19/h4-12,18,21H,13-17H2,1-3H3,(H,25,29)(H,26,30)/t21-/m0/s1
InChIKeySLKTUHDNMGYPNX-NRFANRHFSA-N
XLogP3.36
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 42905460
4-N-(2-methylpropyl)-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,4-dicarboxamide
CID 50845707
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 55787157
4-N-(3-hydroxy-4-methoxyphenyl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 7478742
1-N-phenyl-4-N-(2-phenylethyl)piperidine-1,4-dicarboxamide
CID 3222789
4-N-[2-(3-methoxyphenyl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 99559457
(3R)-N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 51940764
(3S)-3-N-[(2-methoxyphenyl)methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9083501
1-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-4-N-phenylpiperidine-1,4-dicarboxamide
CID 25490674
4-N-(1-naphthalen-1-ylethyl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 42907490
N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]cyclobutanecarboxamide
CID 30522180
N-[2-(dimethylamino)-2-phenylethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 51153656

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide (CID 9220209) is 4-N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide is COc1ccccc1[C@H](CNC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)N(C)C.
What is the InChIKey of 4-N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide?
The InChIKey is SLKTUHDNMGYPNX-NRFANRHFSA-N. The full InChI is InChI=1S/C24H32N4O3/c1-27(2)21(20-11-7-8-12-22(20)31-3)17-25-23(29)18-13-15-28(16-14-18)24(30)26-19-9-5-4-6-10-19/h4-12,18,21H,13-17H2,1-3H3,(H,25,29)(H,26,30)/t21-/m0/s1.
What are the key properties of 4-N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide?
4-N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide has a molecular weight of 424.55 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 9220209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).