N-(1-butylpiperidin-4-yl)-N-phenylpropanamide

C18H28N2O — CID 91753688

IUPACN-(1-butylpiperidin-4-yl)-N-phenylpropanamide
SMILESCCCCN1CCC(N(C(=O)CC)c2ccccc2)CC1
InChIInChI=1S/C18H28N2O/c1-3-5-13-19-14-11-17(12-15-19)20(18(21)4-2)16-9-7-6-8-10-16/h6-10,17H,3-5,11-15H2,1-2H3
InChIKeyJSAWGYPPDVJYIV-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.69
Rot. Bonds6

About N-(1-butylpiperidin-4-yl)-N-phenylpropanamide

N-(1-butylpiperidin-4-yl)-N-phenylpropanamide (PubChem CID 91753688) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-(1-butylpiperidin-4-yl)-N-phenylpropanamide.

Molecular Properties

Compound NameN-(1-butylpiperidin-4-yl)-N-phenylpropanamide
PubChem CID91753688
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-(1-butylpiperidin-4-yl)-N-phenylpropanamide
SMILESCCCCN1CCC(N(C(=O)CC)c2ccccc2)CC1
InChIInChI=1S/C18H28N2O/c1-3-5-13-19-14-11-17(12-15-19)20(18(21)4-2)16-9-7-6-8-10-16/h6-10,17H,3-5,11-15H2,1-2H3
InChIKeyJSAWGYPPDVJYIV-UHFFFAOYSA-N
XLogP3.69
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 3345
ethane;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 160668171
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide azide
CID 126650510
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide sulfate
CID 53341505
but-2-enedioic acid;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 68613507
5-oxo-5-[2-[4-(N-propanoylanilino)piperidin-1-yl]ethylamino]pentanoic acid
CID 156738344
N-[1-[2-(2,6-dimethoxyphenyl)ethyl]piperidin-4-yl]-N-phenylpropanamide
CID 165361588
N-[1-[2-(3,4-dihydropyridin-4-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide
CID 166057250
N-[1-[2-(3-aminophenyl)ethyl]piperidin-4-yl]-N-phenylpropanamide
CID 25110126
1,1-diethoxyethane;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 166758697
3,3,3-trideuterio-N-[1-(2,2-dideuterio-2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide
CID 44621110
2-oxo-2-phenylmethoxyacetic acid;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 155024434

Frequently Asked Questions

What is the IUPAC name of N-(1-butylpiperidin-4-yl)-N-phenylpropanamide?
The IUPAC name of N-(1-butylpiperidin-4-yl)-N-phenylpropanamide (CID 91753688) is N-(1-butylpiperidin-4-yl)-N-phenylpropanamide.
What is the SMILES notation for N-(1-butylpiperidin-4-yl)-N-phenylpropanamide?
The canonical SMILES for N-(1-butylpiperidin-4-yl)-N-phenylpropanamide is CCCCN1CCC(N(C(=O)CC)c2ccccc2)CC1.
What is the InChIKey of N-(1-butylpiperidin-4-yl)-N-phenylpropanamide?
The InChIKey is JSAWGYPPDVJYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-3-5-13-19-14-11-17(12-15-19)20(18(21)4-2)16-9-7-6-8-10-16/h6-10,17H,3-5,11-15H2,1-2H3.
What are the key properties of N-(1-butylpiperidin-4-yl)-N-phenylpropanamide?
N-(1-butylpiperidin-4-yl)-N-phenylpropanamide has a molecular weight of 288.44 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butylpiperidin-4-yl)-N-phenylpropanamide is sourced from PubChem (CID 91753688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).