3-[butyl(methyl)amino]-N-(4-piperidin-1-ylphenyl)propanamide

C19H31N3O — CID 108795373

IUPAC3-[butyl(methyl)amino]-N-(4-piperidin-1-ylphenyl)propanamide
SMILESCCCCN(C)CCC(=O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C19H31N3O/c1-3-4-13-21(2)16-12-19(23)20-17-8-10-18(11-9-17)22-14-6-5-7-15-22/h8-11H,3-7,12-16H2,1-2H3,(H,20,23)
InChIKeyRURMCYRFLWVNAR-UHFFFAOYSA-N
MW317.48 g/mol
LogP3.74
Rot. Bonds8

About 3-[butyl(methyl)amino]-N-(4-piperidin-1-ylphenyl)propanamide

3-[butyl(methyl)amino]-N-(4-piperidin-1-ylphenyl)propanamide (PubChem CID 108795373) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is 3-[butyl(methyl)amino]-N-(4-piperidin-1-ylphenyl)propanamide.

Molecular Properties

Compound Name3-[butyl(methyl)amino]-N-(4-piperidin-1-ylphenyl)propanamide
PubChem CID108795373
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC Name3-[butyl(methyl)amino]-N-(4-piperidin-1-ylphenyl)propanamide
SMILESCCCCN(C)CCC(=O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C19H31N3O/c1-3-4-13-21(2)16-12-19(23)20-17-8-10-18(11-9-17)22-14-6-5-7-15-22/h8-11H,3-7,12-16H2,1-2H3,(H,20,23)
InChIKeyRURMCYRFLWVNAR-UHFFFAOYSA-N
XLogP3.74
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 53.74
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

2-[butyl(methyl)amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 109006153
N-[4-(azepan-1-yl)phenyl]butanamide
CID 60593025
3-[butyl(methyl)amino]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 108806921
2-[butyl(methyl)amino]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 109006156
3-(butylamino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109012504
3-[butyl(methyl)amino]-N-(4-iodophenyl)propanamide
CID 108795422
N-(4-morpholin-4-ylphenyl)pentanamide
CID 2765048
3-[butyl(methyl)amino]-N-(4-propan-2-ylphenyl)propanamide
CID 108795261
3-[butyl(methyl)amino]-N-(4-methylphenyl)propanamide;oxalic acid
CID 171154464
2-(diethylamino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 51178920
3-(4-ethylpiperazin-1-yl)-N-(4-piperidin-1-ylphenyl)propanamide
CID 109017734
N-(4-piperidin-1-ylphenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109041781

Frequently Asked Questions

What is the IUPAC name of 3-[butyl(methyl)amino]-N-(4-piperidin-1-ylphenyl)propanamide?
The IUPAC name of 3-[butyl(methyl)amino]-N-(4-piperidin-1-ylphenyl)propanamide (CID 108795373) is 3-[butyl(methyl)amino]-N-(4-piperidin-1-ylphenyl)propanamide.
What is the SMILES notation for 3-[butyl(methyl)amino]-N-(4-piperidin-1-ylphenyl)propanamide?
The canonical SMILES for 3-[butyl(methyl)amino]-N-(4-piperidin-1-ylphenyl)propanamide is CCCCN(C)CCC(=O)Nc1ccc(N2CCCCC2)cc1.
What is the InChIKey of 3-[butyl(methyl)amino]-N-(4-piperidin-1-ylphenyl)propanamide?
The InChIKey is RURMCYRFLWVNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O/c1-3-4-13-21(2)16-12-19(23)20-17-8-10-18(11-9-17)22-14-6-5-7-15-22/h8-11H,3-7,12-16H2,1-2H3,(H,20,23).
What are the key properties of 3-[butyl(methyl)amino]-N-(4-piperidin-1-ylphenyl)propanamide?
3-[butyl(methyl)amino]-N-(4-piperidin-1-ylphenyl)propanamide has a molecular weight of 317.48 g/mol, XLogP of 3.74, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butyl(methyl)amino]-N-(4-piperidin-1-ylphenyl)propanamide is sourced from PubChem (CID 108795373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).