N-butyl-N-methyl-3-[4-(4-methylpiperidin-1-yl)anilino]propanamide

C20H33N3O — CID 109032403

IUPACN-butyl-N-methyl-3-[4-(4-methylpiperidin-1-yl)anilino]propanamide
SMILESCCCCN(C)C(=O)CCNc1ccc(N2CCC(C)CC2)cc1
InChIInChI=1S/C20H33N3O/c1-4-5-14-22(3)20(24)10-13-21-18-6-8-19(9-7-18)23-15-11-17(2)12-16-23/h6-9,17,21H,4-5,10-16H2,1-3H3
InChIKeyLNBKFZDZQYIPBJ-UHFFFAOYSA-N
MW331.50 g/mol
LogP3.98
Rot. Bonds8

About N-butyl-N-methyl-3-[4-(4-methylpiperidin-1-yl)anilino]propanamide

N-butyl-N-methyl-3-[4-(4-methylpiperidin-1-yl)anilino]propanamide (PubChem CID 109032403) has the molecular formula C20H33N3O and a molecular weight of 331.50 g/mol. Its IUPAC name is N-butyl-N-methyl-3-[4-(4-methylpiperidin-1-yl)anilino]propanamide.

Molecular Properties

Compound NameN-butyl-N-methyl-3-[4-(4-methylpiperidin-1-yl)anilino]propanamide
PubChem CID109032403
Molecular FormulaC20H33N3O
Molecular Weight331.50 g/mol
Exact Mass331.26
IUPAC NameN-butyl-N-methyl-3-[4-(4-methylpiperidin-1-yl)anilino]propanamide
SMILESCCCCN(C)C(=O)CCNc1ccc(N2CCC(C)CC2)cc1
InChIInChI=1S/C20H33N3O/c1-4-5-14-22(3)20(24)10-13-21-18-6-8-19(9-7-18)23-15-11-17(2)12-16-23/h6-9,17,21H,4-5,10-16H2,1-3H3
InChIKeyLNBKFZDZQYIPBJ-UHFFFAOYSA-N
XLogP3.98
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.50
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(4-methylpiperidin-1-yl)anilino]-1-pyrrolidin-1-ylpropan-1-one
CID 109013371
N'-[4-(4-methylpiperidin-1-yl)phenyl]-N-pentyloxamide
CID 108986432
N-(4-methoxyphenyl)-3-[4-(4-methylpiperidin-1-yl)anilino]propanamide
CID 109039631
N,N-diethyl-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109030656
2-[3-(dimethylamino)propylamino]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 108995156
3-[4-(4-methylpiperidin-1-yl)anilino]-N-(pyridin-4-ylmethyl)propanamide
CID 109023888
5-[3-(dimethylamino)propylamino]-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridine-2-carboxamide
CID 109186215
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(propylamino)acetamide
CID 60672154
N-butyl-N-methyl-3-(3-methylanilino)propanamide
CID 109032339
N-(2,4-dimethylphenyl)-3-[4-(4-methylpiperidin-1-yl)anilino]propanamide
CID 109035126
N-butyl-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-methylacetamide
CID 109002192
N-butyl-3-(2-fluoroanilino)-N-methylpropanamide
CID 109032361

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-3-[4-(4-methylpiperidin-1-yl)anilino]propanamide?
The IUPAC name of N-butyl-N-methyl-3-[4-(4-methylpiperidin-1-yl)anilino]propanamide (CID 109032403) is N-butyl-N-methyl-3-[4-(4-methylpiperidin-1-yl)anilino]propanamide.
What is the SMILES notation for N-butyl-N-methyl-3-[4-(4-methylpiperidin-1-yl)anilino]propanamide?
The canonical SMILES for N-butyl-N-methyl-3-[4-(4-methylpiperidin-1-yl)anilino]propanamide is CCCCN(C)C(=O)CCNc1ccc(N2CCC(C)CC2)cc1.
What is the InChIKey of N-butyl-N-methyl-3-[4-(4-methylpiperidin-1-yl)anilino]propanamide?
The InChIKey is LNBKFZDZQYIPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O/c1-4-5-14-22(3)20(24)10-13-21-18-6-8-19(9-7-18)23-15-11-17(2)12-16-23/h6-9,17,21H,4-5,10-16H2,1-3H3.
What are the key properties of N-butyl-N-methyl-3-[4-(4-methylpiperidin-1-yl)anilino]propanamide?
N-butyl-N-methyl-3-[4-(4-methylpiperidin-1-yl)anilino]propanamide has a molecular weight of 331.50 g/mol, XLogP of 3.98, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-3-[4-(4-methylpiperidin-1-yl)anilino]propanamide is sourced from PubChem (CID 109032403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).