3-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide

C27H38N4O3 — CID 55836468

IUPAC3-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
SMILESCCN(CC)C(CNC(=O)C1CCCN(C(=O)Nc2cccc(C)c2)C1)c1cccc(OC)c1
InChIInChI=1S/C27H38N4O3/c1-5-30(6-2)25(21-11-8-14-24(17-21)34-4)18-28-26(32)22-12-9-15-31(19-22)27(33)29-23-13-7-10-20(3)16-23/h7-8,10-11,13-14,16-17,22,25H,5-6,9,12,15,18-19H2,1-4H3,(H,28,32)(H,29,33)
InChIKeyWLKMSRSVCWBPNC-UHFFFAOYSA-N
MW466.63 g/mol
LogP4.45
Rot. Bonds9

About 3-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide

3-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide (PubChem CID 55836468) has the molecular formula C27H38N4O3 and a molecular weight of 466.63 g/mol. Its IUPAC name is 3-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
PubChem CID55836468
Molecular FormulaC27H38N4O3
Molecular Weight466.63 g/mol
Exact Mass466.29
IUPAC Name3-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
SMILESCCN(CC)C(CNC(=O)C1CCCN(C(=O)Nc2cccc(C)c2)C1)c1cccc(OC)c1
InChIInChI=1S/C27H38N4O3/c1-5-30(6-2)25(21-11-8-14-24(17-21)34-4)18-28-26(32)22-12-9-15-31(19-22)27(33)29-23-13-7-10-20(3)16-23/h7-8,10-11,13-14,16-17,22,25H,5-6,9,12,15,18-19H2,1-4H3,(H,28,32)(H,29,33)
InChIKeyWLKMSRSVCWBPNC-UHFFFAOYSA-N
XLogP4.45
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.63
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-N,3-N-diethyl-1-N-(3-methoxyphenyl)piperidine-1,3-dicarboxamide
CID 3872908
3-(diethylamino)-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]pyrrolidine-1-carboxamide
CID 166217159
3-N-methyl-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 47323838
3-N-[2-(methylamino)ethyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide;hydrochloride
CID 119501337
3-amino-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]cyclopentane-1-carboxamide
CID 119837688
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-prop-2-ynylpiperidine-4-carboxamide
CID 60562956
3-N-[(2,3-dimethoxyphenyl)methyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 55912491
1-N-(3-butan-2-yloxyphenyl)-3-N-ethylpiperidine-1,3-dicarboxamide
CID 49117902
N-[(2R)-1-[[(2S)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide
CID 30750639
(3S)-3-N-tert-butyl-1-N-(3-methoxyphenyl)piperidine-1,3-dicarboxamide
CID 7435243
3-N-(2-methoxyphenyl)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 55817552
3-N-(3-acetamidophenyl)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 55817615

Frequently Asked Questions

What is the IUPAC name of 3-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide?
The IUPAC name of 3-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide (CID 55836468) is 3-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide?
The canonical SMILES for 3-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide is CCN(CC)C(CNC(=O)C1CCCN(C(=O)Nc2cccc(C)c2)C1)c1cccc(OC)c1.
What is the InChIKey of 3-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide?
The InChIKey is WLKMSRSVCWBPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N4O3/c1-5-30(6-2)25(21-11-8-14-24(17-21)34-4)18-28-26(32)22-12-9-15-31(19-22)27(33)29-23-13-7-10-20(3)16-23/h7-8,10-11,13-14,16-17,22,25H,5-6,9,12,15,18-19H2,1-4H3,(H,28,32)(H,29,33).
What are the key properties of 3-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide?
3-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide has a molecular weight of 466.63 g/mol, XLogP of 4.45, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 55836468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).