N'-(4-ethylphenyl)-N-(piperidin-4-ylmethyl)oxamide

C16H23N3O2 — CID 3148496

IUPACN'-(4-ethylphenyl)-N-(piperidin-4-ylmethyl)oxamide
SMILESCCc1ccc(NC(=O)C(=O)NCC2CCNCC2)cc1
InChIInChI=1S/C16H23N3O2/c1-2-12-3-5-14(6-4-12)19-16(21)15(20)18-11-13-7-9-17-10-8-13/h3-6,13,17H,2,7-11H2,1H3,(H,18,20)(H,19,21)
InChIKeyYHFJGAYWHWKJIP-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.30
Rot. Bonds4

About N'-(4-ethylphenyl)-N-(piperidin-4-ylmethyl)oxamide

N'-(4-ethylphenyl)-N-(piperidin-4-ylmethyl)oxamide (PubChem CID 3148496) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N'-(4-ethylphenyl)-N-(piperidin-4-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-(4-ethylphenyl)-N-(piperidin-4-ylmethyl)oxamide
PubChem CID3148496
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN'-(4-ethylphenyl)-N-(piperidin-4-ylmethyl)oxamide
SMILESCCc1ccc(NC(=O)C(=O)NCC2CCNCC2)cc1
InChIInChI=1S/C16H23N3O2/c1-2-12-3-5-14(6-4-12)19-16(21)15(20)18-11-13-7-9-17-10-8-13/h3-6,13,17H,2,7-11H2,1H3,(H,18,20)(H,19,21)
InChIKeyYHFJGAYWHWKJIP-UHFFFAOYSA-N
XLogP1.30
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(4-ethylphenyl)-N-(piperidin-4-ylmethyl)oxamide?
The IUPAC name of N'-(4-ethylphenyl)-N-(piperidin-4-ylmethyl)oxamide (CID 3148496) is N'-(4-ethylphenyl)-N-(piperidin-4-ylmethyl)oxamide.
What is the SMILES notation for N'-(4-ethylphenyl)-N-(piperidin-4-ylmethyl)oxamide?
The canonical SMILES for N'-(4-ethylphenyl)-N-(piperidin-4-ylmethyl)oxamide is CCc1ccc(NC(=O)C(=O)NCC2CCNCC2)cc1.
What is the InChIKey of N'-(4-ethylphenyl)-N-(piperidin-4-ylmethyl)oxamide?
The InChIKey is YHFJGAYWHWKJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-2-12-3-5-14(6-4-12)19-16(21)15(20)18-11-13-7-9-17-10-8-13/h3-6,13,17H,2,7-11H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N'-(4-ethylphenyl)-N-(piperidin-4-ylmethyl)oxamide?
N'-(4-ethylphenyl)-N-(piperidin-4-ylmethyl)oxamide has a molecular weight of 289.38 g/mol, XLogP of 1.30, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethylphenyl)-N-(piperidin-4-ylmethyl)oxamide is sourced from PubChem (CID 3148496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).