N'-(4-ethylphenyl)-N-(piperidin-1-ium-4-ylmethyl)oxamide

C16H24N3O2+ — CID 7471195

IUPACN'-(4-ethylphenyl)-N-(piperidin-1-ium-4-ylmethyl)oxamide
SMILESCCc1ccc(NC(=O)C(=O)NCC2CC[NH2+]CC2)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)/p+1
InChIKeyYHFJGAYWHWKJIP-UHFFFAOYSA-O
MW290.39 g/mol
LogP0.28
Rot. Bonds4

About N'-(4-ethylphenyl)-N-(piperidin-1-ium-4-ylmethyl)oxamide

N'-(4-ethylphenyl)-N-(piperidin-1-ium-4-ylmethyl)oxamide (PubChem CID 7471195) has the molecular formula C16H24N3O2+ and a molecular weight of 290.39 g/mol. Its IUPAC name is N'-(4-ethylphenyl)-N-(piperidin-1-ium-4-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-(4-ethylphenyl)-N-(piperidin-1-ium-4-ylmethyl)oxamide
PubChem CID7471195
Molecular FormulaC16H24N3O2+
Molecular Weight290.39 g/mol
Exact Mass290.19
IUPAC NameN'-(4-ethylphenyl)-N-(piperidin-1-ium-4-ylmethyl)oxamide
SMILESCCc1ccc(NC(=O)C(=O)NCC2CC[NH2+]CC2)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)/p+1
InChIKeyYHFJGAYWHWKJIP-UHFFFAOYSA-O
XLogP0.28
TPSA74.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-ethylphenyl)-N-(piperidin-4-ylmethyl)oxamide
CID 3148496
N'-(4-ethylphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide
CID 16886959
N'-(4-ethylphenyl)-N-[4-[(3R)-piperidin-1-ium-3-yl]butyl]oxamide
CID 2289724
N-(cyclohexylmethyl)-N'-(4-ethoxyphenyl)oxamide
CID 2988776
N'-(4-ethylphenyl)-N-prop-2-enyloxamide
CID 7541573
N-(2,2-dimethoxyethyl)-N'-(4-ethylphenyl)oxamide
CID 7541582
N'-(4-ethylphenyl)-N-(4-methylcyclohexyl)oxamide
CID 124506867
N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-N'-(4-ethylphenyl)oxamide
CID 95346932
N'-(4-ethylphenyl)-N-[(2S)-2-hydroxypropyl]oxamide
CID 2291462
1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-(4-ethylphenyl)urea
CID 23609169
N'-(4-butylphenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide
CID 111490941
N-[3-(diethylamino)propyl]-N'-(4-ethylphenyl)oxamide
CID 108522284

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethylphenyl)-N-(piperidin-1-ium-4-ylmethyl)oxamide?
The IUPAC name of N'-(4-ethylphenyl)-N-(piperidin-1-ium-4-ylmethyl)oxamide (CID 7471195) is N'-(4-ethylphenyl)-N-(piperidin-1-ium-4-ylmethyl)oxamide.
What is the SMILES notation for N'-(4-ethylphenyl)-N-(piperidin-1-ium-4-ylmethyl)oxamide?
The canonical SMILES for N'-(4-ethylphenyl)-N-(piperidin-1-ium-4-ylmethyl)oxamide is CCc1ccc(NC(=O)C(=O)NCC2CC[NH2+]CC2)cc1.
What is the InChIKey of N'-(4-ethylphenyl)-N-(piperidin-1-ium-4-ylmethyl)oxamide?
The InChIKey is YHFJGAYWHWKJIP-UHFFFAOYSA-O. 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)/p+1.
What are the key properties of N'-(4-ethylphenyl)-N-(piperidin-1-ium-4-ylmethyl)oxamide?
N'-(4-ethylphenyl)-N-(piperidin-1-ium-4-ylmethyl)oxamide has a molecular weight of 290.39 g/mol, XLogP of 0.28, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethylphenyl)-N-(piperidin-1-ium-4-ylmethyl)oxamide is sourced from PubChem (CID 7471195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).