N-(4-butylphenyl)-N-methyl-3-piperidin-4-ylpropanamide

C19H30N2O — CID 86814370

IUPACN-(4-butylphenyl)-N-methyl-3-piperidin-4-ylpropanamide
SMILESCCCCc1ccc(N(C)C(=O)CCC2CCNCC2)cc1
InChIInChI=1S/C19H30N2O/c1-3-4-5-16-6-9-18(10-7-16)21(2)19(22)11-8-17-12-14-20-15-13-17/h6-7,9-10,17,20H,3-5,8,11-15H2,1-2H3
InChIKeyPOUPBJJFCWUUGY-UHFFFAOYSA-N
MW302.46 g/mol
LogP3.77
Rot. Bonds7

About N-(4-butylphenyl)-N-methyl-3-piperidin-4-ylpropanamide

N-(4-butylphenyl)-N-methyl-3-piperidin-4-ylpropanamide (PubChem CID 86814370) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is N-(4-butylphenyl)-N-methyl-3-piperidin-4-ylpropanamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-N-methyl-3-piperidin-4-ylpropanamide
PubChem CID86814370
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC NameN-(4-butylphenyl)-N-methyl-3-piperidin-4-ylpropanamide
SMILESCCCCc1ccc(N(C)C(=O)CCC2CCNCC2)cc1
InChIInChI=1S/C19H30N2O/c1-3-4-5-16-6-9-18(10-7-16)21(2)19(22)11-8-17-12-14-20-15-13-17/h6-7,9-10,17,20H,3-5,8,11-15H2,1-2H3
InChIKeyPOUPBJJFCWUUGY-UHFFFAOYSA-N
XLogP3.77
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 ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(4-butylphenyl)-N-methyl-3-piperidin-4-ylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-cyanophenyl)-N-methyl-3-piperidin-4-ylpropanamide
CID 62982663
N-methyl-N-(4-propylphenyl)-2-pyrrolidin-3-ylacetamide
CID 115160309
N-methyl-N-pyridin-4-yl-3-pyrrolidin-3-ylpropanamide
CID 106935104
N-(4-butylphenyl)-N-methylpiperidine-3-carboxamide
CID 119343628
4-[2-(4-butylphenoxy)ethyl]piperidine
CID 115492732
N-butyl-N-cyclopropyl-3-piperidin-4-ylpropanamide
CID 62210210
N-ethyl-3-piperidin-4-yl-N-propylpropanamide
CID 62210157
4-(4-butylphenyl)-N-methyl-4-oxo-N-pyrrolidin-3-ylbutanamide
CID 119554642
3-[4-[butanoyl(methyl)amino]phenyl]propanoic acid
CID 28759950
N-(cyclopropylmethyl)-3-piperidin-4-yl-N-propylpropanamide
CID 62211914
N-[4-[4-[4-[2-(hydroxyamino)-2-oxoethyl]phenyl]butyl]phenyl]-N-methylpiperidine-4-carboxamide
CID 90046480
N-(4-pentylphenyl)-2-piperidin-4-ylacetamide
CID 61247684

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-N-methyl-3-piperidin-4-ylpropanamide?
The IUPAC name of N-(4-butylphenyl)-N-methyl-3-piperidin-4-ylpropanamide (CID 86814370) is N-(4-butylphenyl)-N-methyl-3-piperidin-4-ylpropanamide.
What is the SMILES notation for N-(4-butylphenyl)-N-methyl-3-piperidin-4-ylpropanamide?
The canonical SMILES for N-(4-butylphenyl)-N-methyl-3-piperidin-4-ylpropanamide is CCCCc1ccc(N(C)C(=O)CCC2CCNCC2)cc1.
What is the InChIKey of N-(4-butylphenyl)-N-methyl-3-piperidin-4-ylpropanamide?
The InChIKey is POUPBJJFCWUUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-3-4-5-16-6-9-18(10-7-16)21(2)19(22)11-8-17-12-14-20-15-13-17/h6-7,9-10,17,20H,3-5,8,11-15H2,1-2H3.
What are the key properties of N-(4-butylphenyl)-N-methyl-3-piperidin-4-ylpropanamide?
N-(4-butylphenyl)-N-methyl-3-piperidin-4-ylpropanamide has a molecular weight of 302.46 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-N-methyl-3-piperidin-4-ylpropanamide is sourced from PubChem (CID 86814370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).