1-N,1-N-diethyl-4-N-[2-(4-methylphenoxy)phenyl]piperidine-1,4-dicarboxamide

C24H31N3O3 — CID 55915074

IUPAC1-N,1-N-diethyl-4-N-[2-(4-methylphenoxy)phenyl]piperidine-1,4-dicarboxamide
SMILESCCN(CC)C(=O)N1CCC(C(=O)Nc2ccccc2Oc2ccc(C)cc2)CC1
InChIInChI=1S/C24H31N3O3/c1-4-26(5-2)24(29)27-16-14-19(15-17-27)23(28)25-21-8-6-7-9-22(21)30-20-12-10-18(3)11-13-20/h6-13,19H,4-5,14-17H2,1-3H3,(H,25,28)
InChIKeyAMGITHGVRHXIAB-UHFFFAOYSA-N
MW409.53 g/mol
LogP4.90
Rot. Bonds6

About 1-N,1-N-diethyl-4-N-[2-(4-methylphenoxy)phenyl]piperidine-1,4-dicarboxamide

1-N,1-N-diethyl-4-N-[2-(4-methylphenoxy)phenyl]piperidine-1,4-dicarboxamide (PubChem CID 55915074) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is 1-N,1-N-diethyl-4-N-[2-(4-methylphenoxy)phenyl]piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,1-N-diethyl-4-N-[2-(4-methylphenoxy)phenyl]piperidine-1,4-dicarboxamide
PubChem CID55915074
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name1-N,1-N-diethyl-4-N-[2-(4-methylphenoxy)phenyl]piperidine-1,4-dicarboxamide
SMILESCCN(CC)C(=O)N1CCC(C(=O)Nc2ccccc2Oc2ccc(C)cc2)CC1
InChIInChI=1S/C24H31N3O3/c1-4-26(5-2)24(29)27-16-14-19(15-17-27)23(28)25-21-8-6-7-9-22(21)30-20-12-10-18(3)11-13-20/h6-13,19H,4-5,14-17H2,1-3H3,(H,25,28)
InChIKeyAMGITHGVRHXIAB-UHFFFAOYSA-N
XLogP4.90
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,1-N-diethyl-4-N-(2-methoxyphenyl)piperidine-1,4-dicarboxamide
CID 56922674
1-(2-methylpropanoyl)-N-(2-phenoxyphenyl)piperidine-4-carboxamide
CID 31821899
2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-N-[2-(4-methylphenoxy)phenyl]acetamide
CID 78827991
1-N-(3-methylphenyl)-4-N-(2-phenoxyphenyl)piperidine-1,4-dicarboxamide
CID 60541262
N-(2-methoxyphenyl)-1-[2-(4-methylphenyl)acetyl]piperidine-4-carboxamide
CID 38645839
tert-butyl 4-[[2-[4-(1,1-difluoroethyl)phenoxy]phenyl]carbamoyl]piperidine-1-carboxylate
CID 143387902
1-N,1-N-diethyl-4-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]piperidine-1,4-dicarboxamide
CID 55837891
tert-butyl 4-[[2-[4-(trifluoromethoxy)phenoxy]phenyl]carbamoyl]piperidine-1-carboxylate
CID 15952444
4-[[2-(4-ethoxyphenoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672214
1-methylsulfonyl-N-(2-phenoxyphenyl)piperidine-4-carboxamide
CID 2991510
1-N,1-N-diethyl-4-N-(3-hydroxy-2-pyridinyl)piperidine-1,4-dicarboxamide
CID 46428887
1-[[2-(4-methylphenoxy)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122074253

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diethyl-4-N-[2-(4-methylphenoxy)phenyl]piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N,1-N-diethyl-4-N-[2-(4-methylphenoxy)phenyl]piperidine-1,4-dicarboxamide (CID 55915074) is 1-N,1-N-diethyl-4-N-[2-(4-methylphenoxy)phenyl]piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N,1-N-diethyl-4-N-[2-(4-methylphenoxy)phenyl]piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N,1-N-diethyl-4-N-[2-(4-methylphenoxy)phenyl]piperidine-1,4-dicarboxamide is CCN(CC)C(=O)N1CCC(C(=O)Nc2ccccc2Oc2ccc(C)cc2)CC1.
What is the InChIKey of 1-N,1-N-diethyl-4-N-[2-(4-methylphenoxy)phenyl]piperidine-1,4-dicarboxamide?
The InChIKey is AMGITHGVRHXIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-4-26(5-2)24(29)27-16-14-19(15-17-27)23(28)25-21-8-6-7-9-22(21)30-20-12-10-18(3)11-13-20/h6-13,19H,4-5,14-17H2,1-3H3,(H,25,28).
What are the key properties of 1-N,1-N-diethyl-4-N-[2-(4-methylphenoxy)phenyl]piperidine-1,4-dicarboxamide?
1-N,1-N-diethyl-4-N-[2-(4-methylphenoxy)phenyl]piperidine-1,4-dicarboxamide has a molecular weight of 409.53 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-diethyl-4-N-[2-(4-methylphenoxy)phenyl]piperidine-1,4-dicarboxamide is sourced from PubChem (CID 55915074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).