N'-[4-(4-methylpiperidin-1-yl)phenyl]-N-pentyloxamide

C19H29N3O2 — CID 108986432

IUPACN'-[4-(4-methylpiperidin-1-yl)phenyl]-N-pentyloxamide
SMILESCCCCCNC(=O)C(=O)Nc1ccc(N2CCC(C)CC2)cc1
InChIInChI=1S/C19H29N3O2/c1-3-4-5-12-20-18(23)19(24)21-16-6-8-17(9-7-16)22-13-10-15(2)11-14-22/h6-9,15H,3-5,10-14H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyPKRPUROYQFGANJ-UHFFFAOYSA-N
MW331.46 g/mol
LogP3.17
Rot. Bonds6

About N'-[4-(4-methylpiperidin-1-yl)phenyl]-N-pentyloxamide

N'-[4-(4-methylpiperidin-1-yl)phenyl]-N-pentyloxamide (PubChem CID 108986432) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is N'-[4-(4-methylpiperidin-1-yl)phenyl]-N-pentyloxamide.

Molecular Properties

Compound NameN'-[4-(4-methylpiperidin-1-yl)phenyl]-N-pentyloxamide
PubChem CID108986432
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC NameN'-[4-(4-methylpiperidin-1-yl)phenyl]-N-pentyloxamide
SMILESCCCCCNC(=O)C(=O)Nc1ccc(N2CCC(C)CC2)cc1
InChIInChI=1S/C19H29N3O2/c1-3-4-5-12-20-18(23)19(24)21-16-6-8-17(9-7-16)22-13-10-15(2)11-14-22/h6-9,15H,3-5,10-14H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyPKRPUROYQFGANJ-UHFFFAOYSA-N
XLogP3.17
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-[4-(4-methylpiperidin-1-yl)phenyl]-N-(3-phenylpropyl)oxamide
CID 108986246
N-butyl-N'-(4-piperidin-1-ylphenyl)oxamide
CID 108505148
N-(4-methylphenyl)-N'-[4-(4-methylpiperidin-1-yl)phenyl]oxamide
CID 108986754
N-propyl-N'-(4-pyrrolidin-1-ylphenyl)oxamide
CID 47226004
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(propylamino)acetamide
CID 60672154
N'-(4-methoxyphenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]oxamide
CID 108987256
N-[2-(cyclohexen-1-yl)ethyl]-N'-[4-(4-methylpiperidin-1-yl)phenyl]oxamide
CID 108984207
1-(3-methoxypropyl)-3-[4-(4-methylpiperidin-1-yl)phenyl]urea
CID 108988147
4-N-butyl-2-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridine-2,4-dicarboxamide
CID 109079331
N'-(3,4-difluorophenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]oxamide
CID 108987647
N'-(3-methylphenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]oxamide
CID 108986740
3-N-[4-(4-methylpiperidin-1-yl)phenyl]-1-N-propylbenzene-1,3-dicarboxamide
CID 109050431

Frequently Asked Questions

What is the IUPAC name of N'-[4-(4-methylpiperidin-1-yl)phenyl]-N-pentyloxamide?
The IUPAC name of N'-[4-(4-methylpiperidin-1-yl)phenyl]-N-pentyloxamide (CID 108986432) is N'-[4-(4-methylpiperidin-1-yl)phenyl]-N-pentyloxamide.
What is the SMILES notation for N'-[4-(4-methylpiperidin-1-yl)phenyl]-N-pentyloxamide?
The canonical SMILES for N'-[4-(4-methylpiperidin-1-yl)phenyl]-N-pentyloxamide is CCCCCNC(=O)C(=O)Nc1ccc(N2CCC(C)CC2)cc1.
What is the InChIKey of N'-[4-(4-methylpiperidin-1-yl)phenyl]-N-pentyloxamide?
The InChIKey is PKRPUROYQFGANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-3-4-5-12-20-18(23)19(24)21-16-6-8-17(9-7-16)22-13-10-15(2)11-14-22/h6-9,15H,3-5,10-14H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N'-[4-(4-methylpiperidin-1-yl)phenyl]-N-pentyloxamide?
N'-[4-(4-methylpiperidin-1-yl)phenyl]-N-pentyloxamide has a molecular weight of 331.46 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(4-methylpiperidin-1-yl)phenyl]-N-pentyloxamide is sourced from PubChem (CID 108986432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).