N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(propylamino)acetamide

C17H27N3O — CID 60672154

IUPACN-[4-(4-methylpiperidin-1-yl)phenyl]-2-(propylamino)acetamide
SMILESCCCNCC(=O)Nc1ccc(N2CCC(C)CC2)cc1
InChIInChI=1S/C17H27N3O/c1-3-10-18-13-17(21)19-15-4-6-16(7-5-15)20-11-8-14(2)9-12-20/h4-7,14,18H,3,8-13H2,1-2H3,(H,19,21)
InChIKeyLQVCTKZOPWASQE-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.86
Rot. Bonds6

About N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(propylamino)acetamide

N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(propylamino)acetamide (PubChem CID 60672154) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(propylamino)acetamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperidin-1-yl)phenyl]-2-(propylamino)acetamide
PubChem CID60672154
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-[4-(4-methylpiperidin-1-yl)phenyl]-2-(propylamino)acetamide
SMILESCCCNCC(=O)Nc1ccc(N2CCC(C)CC2)cc1
InChIInChI=1S/C17H27N3O/c1-3-10-18-13-17(21)19-15-4-6-16(7-5-15)20-11-8-14(2)9-12-20/h4-7,14,18H,3,8-13H2,1-2H3,(H,19,21)
InChIKeyLQVCTKZOPWASQE-UHFFFAOYSA-N
XLogP2.86
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.86
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'}

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Related Compounds

N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(2-phenylethylamino)acetamide
CID 108999945
2-[3-(dimethylamino)propylamino]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 108995156
2-[2-(4-methoxyphenoxy)ethylamino]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 109005273
2-ethoxy-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 60668633
2-(4-acetylanilino)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 109009876
2-(2-ethylanilino)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 109007619
2-(3,5-dioxopyrazolidin-4-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 110703367
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 108994306
ethyl 4-[[2-[4-(4-methylpiperidin-1-yl)anilino]-2-oxoethyl]amino]benzoate
CID 109010573
N'-[4-(4-methylpiperidin-1-yl)phenyl]-N-pentyloxamide
CID 108986432
2-[4-(4-methylpiperidin-1-yl)anilino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 109009809
3-(3-methylbutylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide
CID 109032069

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(propylamino)acetamide?
The IUPAC name of N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(propylamino)acetamide (CID 60672154) is N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(propylamino)acetamide.
What is the SMILES notation for N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(propylamino)acetamide?
The canonical SMILES for N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(propylamino)acetamide is CCCNCC(=O)Nc1ccc(N2CCC(C)CC2)cc1.
What is the InChIKey of N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(propylamino)acetamide?
The InChIKey is LQVCTKZOPWASQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-3-10-18-13-17(21)19-15-4-6-16(7-5-15)20-11-8-14(2)9-12-20/h4-7,14,18H,3,8-13H2,1-2H3,(H,19,21).
What are the key properties of N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(propylamino)acetamide?
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(propylamino)acetamide has a molecular weight of 289.42 g/mol, XLogP of 2.86, 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]-2-(propylamino)acetamide is sourced from PubChem (CID 60672154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).