N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide

C15H22N2O — CID 954514

IUPACN-[4-(4-methylpiperidin-1-yl)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(N2CCC(C)CC2)cc1
InChIInChI=1S/C15H22N2O/c1-3-15(18)16-13-4-6-14(7-5-13)17-10-8-12(2)9-11-17/h4-7,12H,3,8-11H2,1-2H3,(H,16,18)
InChIKeyNEGGFIVADCVCCU-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.27
Rot. Bonds3

About N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide

N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide (PubChem CID 954514) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperidin-1-yl)phenyl]propanamide
PubChem CID954514
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-[4-(4-methylpiperidin-1-yl)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(N2CCC(C)CC2)cc1
InChIInChI=1S/C15H22N2O/c1-3-15(18)16-13-4-6-14(7-5-13)17-10-8-12(2)9-11-17/h4-7,12H,3,8-11H2,1-2H3,(H,16,18)
InChIKeyNEGGFIVADCVCCU-UHFFFAOYSA-N
XLogP3.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide?
The IUPAC name of N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide (CID 954514) is N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide.
What is the SMILES notation for N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide?
The canonical SMILES for N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide is CCC(=O)Nc1ccc(N2CCC(C)CC2)cc1.
What is the InChIKey of N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide?
The InChIKey is NEGGFIVADCVCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-3-15(18)16-13-4-6-14(7-5-13)17-10-8-12(2)9-11-17/h4-7,12H,3,8-11H2,1-2H3,(H,16,18).
What are the key properties of N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide?
N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide has a molecular weight of 246.35 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide is sourced from PubChem (CID 954514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).