4-N-[2-(3-methoxyphenyl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide

C22H27N3O3 — CID 99559457

IUPAC4-N-[2-(3-methoxyphenyl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide
SMILESCOc1cccc(CCNC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)c1
InChIInChI=1S/C22H27N3O3/c1-28-20-9-5-6-17(16-20)10-13-23-21(26)18-11-14-25(15-12-18)22(27)24-19-7-3-2-4-8-19/h2-9,16,18H,10-15H2,1H3,(H,23,26)(H,24,27)
InChIKeyUEKFEIJZTXNKSC-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.30
Rot. Bonds6

About 4-N-[2-(3-methoxyphenyl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide

4-N-[2-(3-methoxyphenyl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide (PubChem CID 99559457) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 4-N-[2-(3-methoxyphenyl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[2-(3-methoxyphenyl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide
PubChem CID99559457
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name4-N-[2-(3-methoxyphenyl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide
SMILESCOc1cccc(CCNC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)c1
InChIInChI=1S/C22H27N3O3/c1-28-20-9-5-6-17(16-20)10-13-23-21(26)18-11-14-25(15-12-18)22(27)24-19-7-3-2-4-8-19/h2-9,16,18H,10-15H2,1H3,(H,23,26)(H,24,27)
InChIKeyUEKFEIJZTXNKSC-UHFFFAOYSA-N
XLogP3.30
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-phenyl-4-N-(2-phenylethyl)piperidine-1,4-dicarboxamide
CID 3222789
1-butanoyl-N-[2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 113004717
1-[(3-methoxyphenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 1343442
N-[2-(3-methoxyphenyl)ethyl]cyclohexanecarboxamide
CID 47041879
4-[2-[[2-(3-methoxyphenyl)acetyl]amino]ethyl]-N-phenylpiperidine-1-carboxamide
CID 46381852
1-[2-(4-fluorophenyl)acetyl]-N-[2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 113004740
4-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-N-(4-methylphenyl)piperidine-1,4-dicarboxamide
CID 3571668
N-[2-(3-methoxyphenyl)ethyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
CID 113004742
(3R,5R)-1-N-(3-methoxyphenyl)-5-phenyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide
CID 92995542
4-methoxy-N-[2-(3-methoxyphenyl)ethyl]cyclohexane-1-carboxamide
CID 112529647
4-[[(2S)-1-(3-methoxyphenyl)propan-2-yl]amino]-N-phenylpiperidine-1-carboxamide
CID 95127154
(2R)-1-N-(3-methoxyphenyl)-2-N-(2-phenylethyl)pyrrolidine-1,2-dicarboxamide
CID 1433427

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(3-methoxyphenyl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-[2-(3-methoxyphenyl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide (CID 99559457) is 4-N-[2-(3-methoxyphenyl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[2-(3-methoxyphenyl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-[2-(3-methoxyphenyl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide is COc1cccc(CCNC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)c1.
What is the InChIKey of 4-N-[2-(3-methoxyphenyl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide?
The InChIKey is UEKFEIJZTXNKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-28-20-9-5-6-17(16-20)10-13-23-21(26)18-11-14-25(15-12-18)22(27)24-19-7-3-2-4-8-19/h2-9,16,18H,10-15H2,1H3,(H,23,26)(H,24,27).
What are the key properties of 4-N-[2-(3-methoxyphenyl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide?
4-N-[2-(3-methoxyphenyl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide has a molecular weight of 381.48 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(3-methoxyphenyl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 99559457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).