N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-N'-(3-methylphenyl)oxamide

C19H27N3O2 — CID 56803510

IUPACN-[1-(3-methylbut-2-enyl)piperidin-4-yl]-N'-(3-methylphenyl)oxamide
SMILESCC(C)=CCN1CCC(NC(=O)C(=O)Nc2cccc(C)c2)CC1
InChIInChI=1S/C19H27N3O2/c1-14(2)7-10-22-11-8-16(9-12-22)20-18(23)19(24)21-17-6-4-5-15(3)13-17/h4-7,13,16H,8-12H2,1-3H3,(H,20,23)(H,21,24)
InChIKeySEQVWQWTRPPXKV-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.48
Rot. Bonds4

About N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-N'-(3-methylphenyl)oxamide

N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-N'-(3-methylphenyl)oxamide (PubChem CID 56803510) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-N'-(3-methylphenyl)oxamide.

Molecular Properties

Compound NameN-[1-(3-methylbut-2-enyl)piperidin-4-yl]-N'-(3-methylphenyl)oxamide
PubChem CID56803510
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN-[1-(3-methylbut-2-enyl)piperidin-4-yl]-N'-(3-methylphenyl)oxamide
SMILESCC(C)=CCN1CCC(NC(=O)C(=O)Nc2cccc(C)c2)CC1
InChIInChI=1S/C19H27N3O2/c1-14(2)7-10-22-11-8-16(9-12-22)20-18(23)19(24)21-17-6-4-5-15(3)13-17/h4-7,13,16H,8-12H2,1-3H3,(H,20,23)(H,21,24)
InChIKeySEQVWQWTRPPXKV-UHFFFAOYSA-N
XLogP2.48
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(5-fluoro-2-methylphenyl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]oxamide
CID 56803513
N-(4-ethylcyclohexyl)-N'-(3-methylphenyl)oxamide
CID 124505061
1-(3-methylbut-2-enyl)-N-[(1R)-1-(3-methylphenyl)ethyl]piperidin-4-amine
CID 81369214
N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-4-(phenylcarbamoylamino)benzamide
CID 56568887
1-[1-[(2R)-2-hydroxybutyl]piperidin-4-yl]-3-(3-methylphenyl)urea
CID 97328121
1-cyclopropyl-3-(3-methylphenyl)urea
CID 841579
N-(3-fluorophenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43762199
N'-(3-methylphenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]oxamide
CID 108986740
N-(3-methylphenyl)-2-[(1-propylpiperidin-4-yl)amino]acetamide
CID 60695688
(E)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 56569607
3-[[[1-(3-methylbut-2-enyl)piperidin-4-yl]carbamoylamino]methyl]benzamide
CID 75370045
N-(3-bromo-5-methylphenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 107582294

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-N'-(3-methylphenyl)oxamide?
The IUPAC name of N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-N'-(3-methylphenyl)oxamide (CID 56803510) is N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-N'-(3-methylphenyl)oxamide.
What is the SMILES notation for N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-N'-(3-methylphenyl)oxamide?
The canonical SMILES for N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-N'-(3-methylphenyl)oxamide is CC(C)=CCN1CCC(NC(=O)C(=O)Nc2cccc(C)c2)CC1.
What is the InChIKey of N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-N'-(3-methylphenyl)oxamide?
The InChIKey is SEQVWQWTRPPXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-14(2)7-10-22-11-8-16(9-12-22)20-18(23)19(24)21-17-6-4-5-15(3)13-17/h4-7,13,16H,8-12H2,1-3H3,(H,20,23)(H,21,24).
What are the key properties of N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-N'-(3-methylphenyl)oxamide?
N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-N'-(3-methylphenyl)oxamide has a molecular weight of 329.44 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-N'-(3-methylphenyl)oxamide is sourced from PubChem (CID 56803510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).