N-butyl-3-(4-piperidin-1-ylphenyl)propanamide

C18H28N2O — CID 110647332

IUPACN-butyl-3-(4-piperidin-1-ylphenyl)propanamide
SMILESCCCCNC(=O)CCc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C18H28N2O/c1-2-3-13-19-18(21)12-9-16-7-10-17(11-8-16)20-14-5-4-6-15-20/h7-8,10-11H,2-6,9,12-15H2,1H3,(H,19,21)
InChIKeyCMQLYVQAUCXHPY-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.53
Rot. Bonds7

About N-butyl-3-(4-piperidin-1-ylphenyl)propanamide

N-butyl-3-(4-piperidin-1-ylphenyl)propanamide (PubChem CID 110647332) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-butyl-3-(4-piperidin-1-ylphenyl)propanamide.

Molecular Properties

Compound NameN-butyl-3-(4-piperidin-1-ylphenyl)propanamide
PubChem CID110647332
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-butyl-3-(4-piperidin-1-ylphenyl)propanamide
SMILESCCCCNC(=O)CCc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C18H28N2O/c1-2-3-13-19-18(21)12-9-16-7-10-17(11-8-16)20-14-5-4-6-15-20/h7-8,10-11H,2-6,9,12-15H2,1H3,(H,19,21)
InChIKeyCMQLYVQAUCXHPY-UHFFFAOYSA-N
XLogP3.53
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[4-(azepan-1-yl)phenyl]propyl]-3-(4-methoxyphenyl)propanamide
CID 16889766
N-propan-2-yl-3-(4-pyrrolidin-1-ylphenyl)propanamide
CID 110647246
butyl N-[2-(4-piperidin-1-ylphenyl)ethyl]carbamate
CID 139510767
N-butyl-N'-(4-piperidin-1-ylphenyl)oxamide
CID 108505148
1-(4-pentylphenyl)pyrrolidine
CID 168512151
N-propyl-2-[(4-pyrrolidin-1-ylphenyl)methylamino]acetamide
CID 43777789
3-methyl-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]butanamide
CID 110404917
N-[(4-piperidin-1-ylphenyl)methyl]butan-1-amine
CID 29042784
ethyl 3-[4-(azepan-1-yl)phenyl]propanoate
CID 59859896
2-(4-chlorophenyl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]acetamide
CID 16890076
3-(4-chlorophenyl)-N-(4-piperidin-1-ylbutyl)propanamide
CID 110443247
N-butyl-2-(4-pyrrolidin-1-ylanilino)propanamide
CID 60720263

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-(4-piperidin-1-ylphenyl)propanamide?
The IUPAC name of N-butyl-3-(4-piperidin-1-ylphenyl)propanamide (CID 110647332) is N-butyl-3-(4-piperidin-1-ylphenyl)propanamide.
What is the SMILES notation for N-butyl-3-(4-piperidin-1-ylphenyl)propanamide?
The canonical SMILES for N-butyl-3-(4-piperidin-1-ylphenyl)propanamide is CCCCNC(=O)CCc1ccc(N2CCCCC2)cc1.
What is the InChIKey of N-butyl-3-(4-piperidin-1-ylphenyl)propanamide?
The InChIKey is CMQLYVQAUCXHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-2-3-13-19-18(21)12-9-16-7-10-17(11-8-16)20-14-5-4-6-15-20/h7-8,10-11H,2-6,9,12-15H2,1H3,(H,19,21).
What are the key properties of N-butyl-3-(4-piperidin-1-ylphenyl)propanamide?
N-butyl-3-(4-piperidin-1-ylphenyl)propanamide has a molecular weight of 288.44 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-(4-piperidin-1-ylphenyl)propanamide is sourced from PubChem (CID 110647332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).