4-(4-methylphenyl)-N-(2-piperidin-1-ylpropyl)butanamide

C19H30N2O — CID 110301716

IUPAC4-(4-methylphenyl)-N-(2-piperidin-1-ylpropyl)butanamide
SMILESCc1ccc(CCCC(=O)NCC(C)N2CCCCC2)cc1
InChIInChI=1S/C19H30N2O/c1-16-9-11-18(12-10-16)7-6-8-19(22)20-15-17(2)21-13-4-3-5-14-21/h9-12,17H,3-8,13-15H2,1-2H3,(H,20,22)
InChIKeyXZPABNLZVMLXSK-UHFFFAOYSA-N
MW302.46 g/mol
LogP3.31
Rot. Bonds7

About 4-(4-methylphenyl)-N-(2-piperidin-1-ylpropyl)butanamide

4-(4-methylphenyl)-N-(2-piperidin-1-ylpropyl)butanamide (PubChem CID 110301716) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is 4-(4-methylphenyl)-N-(2-piperidin-1-ylpropyl)butanamide.

Molecular Properties

Compound Name4-(4-methylphenyl)-N-(2-piperidin-1-ylpropyl)butanamide
PubChem CID110301716
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC Name4-(4-methylphenyl)-N-(2-piperidin-1-ylpropyl)butanamide
SMILESCc1ccc(CCCC(=O)NCC(C)N2CCCCC2)cc1
InChIInChI=1S/C19H30N2O/c1-16-9-11-18(12-10-16)7-6-8-19(22)20-15-17(2)21-13-4-3-5-14-21/h9-12,17H,3-8,13-15H2,1-2H3,(H,20,22)
InChIKeyXZPABNLZVMLXSK-UHFFFAOYSA-N
XLogP3.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-fluorophenyl)-N-(2-piperidin-1-ylpropyl)propanamide
CID 110620539
3-(4-fluorophenyl)-N-(2-pyrrolidin-1-ylpropyl)propanamide
CID 110620424
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-pyrrolidin-1-ylpropyl)butanamide
CID 110353190
2-methyl-3-[4-(4-methylphenyl)butanoylamino]propanoic acid
CID 119236583
4-(4-methylphenyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]butanamide
CID 110302631
N-(2-cyclopentyl-2-hydroxyethyl)-4-(4-methylphenyl)butanamide
CID 111425697
5-bromo-N-(2-pyrrolidin-1-ylpropyl)pentanamide
CID 107910399
N-(cyclohexylmethyl)-4-(4-methylphenyl)butanamide
CID 55771489
N-[(2R)-2-(ethylamino)propyl]-5-(4-methylphenyl)pentanamide
CID 120651415
2-(4-ethoxyphenyl)-N-(2-piperidin-1-ylpropyl)acetamide
CID 112502322
4-(3-hydroxy-3-methylbutyl)-N-[(2R)-2-pyrrolidin-1-ylpropyl]benzamide
CID 95860893
N-[(2R)-2-hydroxypropyl]-3-(4-methylphenyl)propanamide
CID 83032441

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-N-(2-piperidin-1-ylpropyl)butanamide?
The IUPAC name of 4-(4-methylphenyl)-N-(2-piperidin-1-ylpropyl)butanamide (CID 110301716) is 4-(4-methylphenyl)-N-(2-piperidin-1-ylpropyl)butanamide.
What is the SMILES notation for 4-(4-methylphenyl)-N-(2-piperidin-1-ylpropyl)butanamide?
The canonical SMILES for 4-(4-methylphenyl)-N-(2-piperidin-1-ylpropyl)butanamide is Cc1ccc(CCCC(=O)NCC(C)N2CCCCC2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-N-(2-piperidin-1-ylpropyl)butanamide?
The InChIKey is XZPABNLZVMLXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-16-9-11-18(12-10-16)7-6-8-19(22)20-15-17(2)21-13-4-3-5-14-21/h9-12,17H,3-8,13-15H2,1-2H3,(H,20,22).
What are the key properties of 4-(4-methylphenyl)-N-(2-piperidin-1-ylpropyl)butanamide?
4-(4-methylphenyl)-N-(2-piperidin-1-ylpropyl)butanamide has a molecular weight of 302.46 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-N-(2-piperidin-1-ylpropyl)butanamide is sourced from PubChem (CID 110301716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).