3-N-[3-(2-ethoxyphenyl)propyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide

C20H31N3O3 — CID 74240152

IUPAC3-N-[3-(2-ethoxyphenyl)propyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
SMILESCCOc1ccccc1CCCNC(=O)C1CCCN(C(=O)N(C)C)C1
InChIInChI=1S/C20H31N3O3/c1-4-26-18-12-6-5-9-16(18)10-7-13-21-19(24)17-11-8-14-23(15-17)20(25)22(2)3/h5-6,9,12,17H,4,7-8,10-11,13-15H2,1-3H3,(H,21,24)
InChIKeyWCUSFSSSPFCVQM-UHFFFAOYSA-N
MW361.49 g/mol
LogP2.53
Rot. Bonds7

About 3-N-[3-(2-ethoxyphenyl)propyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide

3-N-[3-(2-ethoxyphenyl)propyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide (PubChem CID 74240152) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is 3-N-[3-(2-ethoxyphenyl)propyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[3-(2-ethoxyphenyl)propyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
PubChem CID74240152
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC Name3-N-[3-(2-ethoxyphenyl)propyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
SMILESCCOc1ccccc1CCCNC(=O)C1CCCN(C(=O)N(C)C)C1
InChIInChI=1S/C20H31N3O3/c1-4-26-18-12-6-5-9-16(18)10-7-13-21-19(24)17-11-8-14-23(15-17)20(25)22(2)3/h5-6,9,12,17H,4,7-8,10-11,13-15H2,1-3H3,(H,21,24)
InChIKeyWCUSFSSSPFCVQM-UHFFFAOYSA-N
XLogP2.53
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3R)-1-(benzenesulfonyl)-N-[3-(2-ethoxyphenyl)propyl]piperidine-3-carboxamide
CID 100659406
(3R,6S)-6-(dimethylamino)-N-[3-(2-ethoxyphenyl)propyl]-1-methylazepane-3-carboxamide
CID 165425374
(3R)-N-[3-(2-ethoxyphenyl)propyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 100669289
3-N-[3-(4-fluorophenyl)propyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 74249959
(3R)-3-N-[3-(4-hydroxyphenyl)propyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 99939916
(3S)-N-[3-(2-ethoxyphenyl)propyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 94019320
1-N,1-N-dimethyl-3-N-(2-pyridin-2-ylethyl)piperidine-1,3-dicarboxamide
CID 47028685
N-[(2-ethoxyphenyl)methyl]-1-(2-methylbutanoyl)piperidine-3-carboxamide
CID 51106693
(3R)-N-[(2-ethoxyphenyl)methyl]-1-[(2S)-2-methylbutanoyl]piperidine-3-carboxamide
CID 94822300
N-[3-(2-ethoxyphenyl)propyl]-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43930981
N-[3-(2-ethoxyphenyl)propyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 100648316
(3S)-3-N-[2-(3-methoxyphenyl)ethyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 94178642

Frequently Asked Questions

What is the IUPAC name of 3-N-[3-(2-ethoxyphenyl)propyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide?
The IUPAC name of 3-N-[3-(2-ethoxyphenyl)propyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide (CID 74240152) is 3-N-[3-(2-ethoxyphenyl)propyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[3-(2-ethoxyphenyl)propyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide?
The canonical SMILES for 3-N-[3-(2-ethoxyphenyl)propyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide is CCOc1ccccc1CCCNC(=O)C1CCCN(C(=O)N(C)C)C1.
What is the InChIKey of 3-N-[3-(2-ethoxyphenyl)propyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide?
The InChIKey is WCUSFSSSPFCVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-4-26-18-12-6-5-9-16(18)10-7-13-21-19(24)17-11-8-14-23(15-17)20(25)22(2)3/h5-6,9,12,17H,4,7-8,10-11,13-15H2,1-3H3,(H,21,24).
What are the key properties of 3-N-[3-(2-ethoxyphenyl)propyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide?
3-N-[3-(2-ethoxyphenyl)propyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide has a molecular weight of 361.49 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[3-(2-ethoxyphenyl)propyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 74240152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).