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

C15H22N2O — CID 527024

IUPACN-(1-methylpiperidin-4-yl)-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1CCN(C)CC1
InChIInChI=1S/C15H22N2O/c1-3-15(18)17(13-7-5-4-6-8-13)14-9-11-16(2)12-10-14/h4-8,14H,3,9-12H2,1-2H3
InChIKeyPCMUWYHREXSXFM-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.52
Rot. Bonds3

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

N-(1-methylpiperidin-4-yl)-N-phenylpropanamide (PubChem CID 527024) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-(1-methylpiperidin-4-yl)-N-phenylpropanamide.

Molecular Properties

Compound NameN-(1-methylpiperidin-4-yl)-N-phenylpropanamide
PubChem CID527024
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-(1-methylpiperidin-4-yl)-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1CCN(C)CC1
InChIInChI=1S/C15H22N2O/c1-3-15(18)17(13-7-5-4-6-8-13)14-9-11-16(2)12-10-14/h4-8,14H,3,9-12H2,1-2H3
InChIKeyPCMUWYHREXSXFM-UHFFFAOYSA-N
XLogP2.52
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpiperidin-4-yl)-N-phenylpropanamide?
The IUPAC name of N-(1-methylpiperidin-4-yl)-N-phenylpropanamide (CID 527024) is N-(1-methylpiperidin-4-yl)-N-phenylpropanamide.
What is the SMILES notation for N-(1-methylpiperidin-4-yl)-N-phenylpropanamide?
The canonical SMILES for N-(1-methylpiperidin-4-yl)-N-phenylpropanamide is CCC(=O)N(c1ccccc1)C1CCN(C)CC1.
What is the InChIKey of N-(1-methylpiperidin-4-yl)-N-phenylpropanamide?
The InChIKey is PCMUWYHREXSXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-3-15(18)17(13-7-5-4-6-8-13)14-9-11-16(2)12-10-14/h4-8,14H,3,9-12H2,1-2H3.
What are the key properties of N-(1-methylpiperidin-4-yl)-N-phenylpropanamide?
N-(1-methylpiperidin-4-yl)-N-phenylpropanamide has a molecular weight of 246.35 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpiperidin-4-yl)-N-phenylpropanamide is sourced from PubChem (CID 527024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).