4-N-(3-ethoxypropyl)-1-N-[1-(2-methylphenyl)ethyl]piperidine-1,4-dicarboxamide

C21H33N3O3 — CID 86998780

IUPAC4-N-(3-ethoxypropyl)-1-N-[1-(2-methylphenyl)ethyl]piperidine-1,4-dicarboxamide
SMILESCCOCCCNC(=O)C1CCN(C(=O)NC(C)c2ccccc2C)CC1
InChIInChI=1S/C21H33N3O3/c1-4-27-15-7-12-22-20(25)18-10-13-24(14-11-18)21(26)23-17(3)19-9-6-5-8-16(19)2/h5-6,8-9,17-18H,4,7,10-15H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyZLJZSKBHHAFUAE-UHFFFAOYSA-N
MW375.51 g/mol
LogP3.02
Rot. Bonds8

About 4-N-(3-ethoxypropyl)-1-N-[1-(2-methylphenyl)ethyl]piperidine-1,4-dicarboxamide

4-N-(3-ethoxypropyl)-1-N-[1-(2-methylphenyl)ethyl]piperidine-1,4-dicarboxamide (PubChem CID 86998780) has the molecular formula C21H33N3O3 and a molecular weight of 375.51 g/mol. Its IUPAC name is 4-N-(3-ethoxypropyl)-1-N-[1-(2-methylphenyl)ethyl]piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(3-ethoxypropyl)-1-N-[1-(2-methylphenyl)ethyl]piperidine-1,4-dicarboxamide
PubChem CID86998780
Molecular FormulaC21H33N3O3
Molecular Weight375.51 g/mol
Exact Mass375.25
IUPAC Name4-N-(3-ethoxypropyl)-1-N-[1-(2-methylphenyl)ethyl]piperidine-1,4-dicarboxamide
SMILESCCOCCCNC(=O)C1CCN(C(=O)NC(C)c2ccccc2C)CC1
InChIInChI=1S/C21H33N3O3/c1-4-27-15-7-12-22-20(25)18-10-13-24(14-11-18)21(26)23-17(3)19-9-6-5-8-16(19)2/h5-6,8-9,17-18H,4,7,10-15H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyZLJZSKBHHAFUAE-UHFFFAOYSA-N
XLogP3.02
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 53.02
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

1-N-(2,6-dimethylphenyl)-4-N-(3-ethoxypropyl)piperidine-1,4-dicarboxamide
CID 86987351
4-N-(3-ethoxypropyl)-1-N-(4-methylphenyl)piperidine-1,4-dicarboxamide
CID 651583
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
4-(3,4-dichlorobenzoyl)-N-[(1S)-1-(2-methylphenyl)ethyl]piperidine-1-carboxamide
CID 97007454
1-(3,5-dimethyl-1-phenylpyrazole-4-carbonyl)-N-(3-ethoxypropyl)piperidine-4-carboxamide
CID 78871295
1-benzyl-N-[1-(2-methylphenyl)ethyl]piperidine-4-carboxamide
CID 47072278
1-[(2S)-2-amino-4-methylpentanoyl]-N-(3-ethoxypropyl)piperidine-4-carboxamide;hydrochloride
CID 119720899
ethyl 4-[1-(2,5-dimethylphenyl)ethylcarbamoyl]piperidine-1-carboxylate
CID 17459653
1-(3,4-dimethylphenyl)sulfonyl-N-(3-ethoxypropyl)piperidine-4-carboxamide
CID 26776108
1-(3-ethoxypropylcarbamoyl)piperidine-4-carboxylic acid
CID 43318547

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-ethoxypropyl)-1-N-[1-(2-methylphenyl)ethyl]piperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-(3-ethoxypropyl)-1-N-[1-(2-methylphenyl)ethyl]piperidine-1,4-dicarboxamide (CID 86998780) is 4-N-(3-ethoxypropyl)-1-N-[1-(2-methylphenyl)ethyl]piperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(3-ethoxypropyl)-1-N-[1-(2-methylphenyl)ethyl]piperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-(3-ethoxypropyl)-1-N-[1-(2-methylphenyl)ethyl]piperidine-1,4-dicarboxamide is CCOCCCNC(=O)C1CCN(C(=O)NC(C)c2ccccc2C)CC1.
What is the InChIKey of 4-N-(3-ethoxypropyl)-1-N-[1-(2-methylphenyl)ethyl]piperidine-1,4-dicarboxamide?
The InChIKey is ZLJZSKBHHAFUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O3/c1-4-27-15-7-12-22-20(25)18-10-13-24(14-11-18)21(26)23-17(3)19-9-6-5-8-16(19)2/h5-6,8-9,17-18H,4,7,10-15H2,1-3H3,(H,22,25)(H,23,26).
What are the key properties of 4-N-(3-ethoxypropyl)-1-N-[1-(2-methylphenyl)ethyl]piperidine-1,4-dicarboxamide?
4-N-(3-ethoxypropyl)-1-N-[1-(2-methylphenyl)ethyl]piperidine-1,4-dicarboxamide has a molecular weight of 375.51 g/mol, XLogP of 3.02, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-ethoxypropyl)-1-N-[1-(2-methylphenyl)ethyl]piperidine-1,4-dicarboxamide is sourced from PubChem (CID 86998780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).