1-N-(2,6-dimethylphenyl)-4-N-(3-ethoxypropyl)piperidine-1,4-dicarboxamide

C20H31N3O3 — CID 86987351

IUPAC1-N-(2,6-dimethylphenyl)-4-N-(3-ethoxypropyl)piperidine-1,4-dicarboxamide
SMILESCCOCCCNC(=O)C1CCN(C(=O)Nc2c(C)cccc2C)CC1
InChIInChI=1S/C20H31N3O3/c1-4-26-14-6-11-21-19(24)17-9-12-23(13-10-17)20(25)22-18-15(2)7-5-8-16(18)3/h5,7-8,17H,4,6,9-14H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyVSLBPFNRVPZTRD-UHFFFAOYSA-N
MW361.49 g/mol
LogP3.09
Rot. Bonds7

About 1-N-(2,6-dimethylphenyl)-4-N-(3-ethoxypropyl)piperidine-1,4-dicarboxamide

1-N-(2,6-dimethylphenyl)-4-N-(3-ethoxypropyl)piperidine-1,4-dicarboxamide (PubChem CID 86987351) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is 1-N-(2,6-dimethylphenyl)-4-N-(3-ethoxypropyl)piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(2,6-dimethylphenyl)-4-N-(3-ethoxypropyl)piperidine-1,4-dicarboxamide
PubChem CID86987351
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC Name1-N-(2,6-dimethylphenyl)-4-N-(3-ethoxypropyl)piperidine-1,4-dicarboxamide
SMILESCCOCCCNC(=O)C1CCN(C(=O)Nc2c(C)cccc2C)CC1
InChIInChI=1S/C20H31N3O3/c1-4-26-14-6-11-21-19(24)17-9-12-23(13-10-17)20(25)22-18-15(2)7-5-8-16(18)3/h5,7-8,17H,4,6,9-14H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyVSLBPFNRVPZTRD-UHFFFAOYSA-N
XLogP3.09
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-N-(3-ethoxypropyl)-1-N-(4-methylphenyl)piperidine-1,4-dicarboxamide
CID 651583
4-N-(3-ethoxypropyl)-1-N-[1-(2-methylphenyl)ethyl]piperidine-1,4-dicarboxamide
CID 86998780
1-N-(4-tert-butylphenyl)-4-N-(3-ethoxypropyl)piperidine-1,4-dicarboxamide
CID 86986547
4-[[[4-(3-ethoxypropylcarbamoyl)piperidine-1-carbonyl]amino]methyl]benzoic acid
CID 122019796
1-(5-amino-2-methylbenzoyl)-N-(3-ethoxypropyl)piperidine-4-carboxamide
CID 120622057
1-(3,4-dimethylphenyl)sulfonyl-N-(3-ethoxypropyl)piperidine-4-carboxamide
CID 26776108
1-(3-ethoxypropylcarbamoyl)piperidine-4-carboxylic acid
CID 43318547
1-[(3-ethoxyphenyl)methyl]-N-(3-ethoxypropyl)piperidine-4-carboxamide
CID 43923975
1-(3,5-dimethyl-1-phenylpyrazole-4-carbonyl)-N-(3-ethoxypropyl)piperidine-4-carboxamide
CID 78871295
N-(3-ethoxypropyl)-1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-4-carboxamide
CID 53203084
N-(3-ethoxypropyl)-1-(3,3,3-trifluoropropanoyl)piperidine-4-carboxamide
CID 86985142
N-(3-ethoxypropyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 27680479

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,6-dimethylphenyl)-4-N-(3-ethoxypropyl)piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-(2,6-dimethylphenyl)-4-N-(3-ethoxypropyl)piperidine-1,4-dicarboxamide (CID 86987351) is 1-N-(2,6-dimethylphenyl)-4-N-(3-ethoxypropyl)piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(2,6-dimethylphenyl)-4-N-(3-ethoxypropyl)piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-(2,6-dimethylphenyl)-4-N-(3-ethoxypropyl)piperidine-1,4-dicarboxamide is CCOCCCNC(=O)C1CCN(C(=O)Nc2c(C)cccc2C)CC1.
What is the InChIKey of 1-N-(2,6-dimethylphenyl)-4-N-(3-ethoxypropyl)piperidine-1,4-dicarboxamide?
The InChIKey is VSLBPFNRVPZTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-4-26-14-6-11-21-19(24)17-9-12-23(13-10-17)20(25)22-18-15(2)7-5-8-16(18)3/h5,7-8,17H,4,6,9-14H2,1-3H3,(H,21,24)(H,22,25).
What are the key properties of 1-N-(2,6-dimethylphenyl)-4-N-(3-ethoxypropyl)piperidine-1,4-dicarboxamide?
1-N-(2,6-dimethylphenyl)-4-N-(3-ethoxypropyl)piperidine-1,4-dicarboxamide has a molecular weight of 361.49 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,6-dimethylphenyl)-4-N-(3-ethoxypropyl)piperidine-1,4-dicarboxamide is sourced from PubChem (CID 86987351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).