N-[2-(4-phenylpiperidin-1-yl)butyl]-N-pyridin-2-ylpropanamide

C23H31N3O — CID 169494201

IUPACN-[2-(4-phenylpiperidin-1-yl)butyl]-N-pyridin-2-ylpropanamide
SMILESCCC(=O)N(CC(CC)N1CCC(c2ccccc2)CC1)c1ccccn1
InChIInChI=1S/C23H31N3O/c1-3-21(18-26(23(27)4-2)22-12-8-9-15-24-22)25-16-13-20(14-17-25)19-10-6-5-7-11-19/h5-12,15,20-21H,3-4,13-14,16-18H2,1-2H3
InChIKeyPGTIFUTZJAGUST-UHFFFAOYSA-N
MW365.52 g/mol
LogP4.48
Rot. Bonds7

About N-[2-(4-phenylpiperidin-1-yl)butyl]-N-pyridin-2-ylpropanamide

N-[2-(4-phenylpiperidin-1-yl)butyl]-N-pyridin-2-ylpropanamide (PubChem CID 169494201) has the molecular formula C23H31N3O and a molecular weight of 365.52 g/mol. Its IUPAC name is N-[2-(4-phenylpiperidin-1-yl)butyl]-N-pyridin-2-ylpropanamide.

Molecular Properties

Compound NameN-[2-(4-phenylpiperidin-1-yl)butyl]-N-pyridin-2-ylpropanamide
PubChem CID169494201
Molecular FormulaC23H31N3O
Molecular Weight365.52 g/mol
Exact Mass365.25
IUPAC NameN-[2-(4-phenylpiperidin-1-yl)butyl]-N-pyridin-2-ylpropanamide
SMILESCCC(=O)N(CC(CC)N1CCC(c2ccccc2)CC1)c1ccccn1
InChIInChI=1S/C23H31N3O/c1-3-21(18-26(23(27)4-2)22-12-8-9-15-24-22)25-16-13-20(14-17-25)19-10-6-5-7-11-19/h5-12,15,20-21H,3-4,13-14,16-18H2,1-2H3
InChIKeyPGTIFUTZJAGUST-UHFFFAOYSA-N
XLogP4.48
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-phenylpiperidin-1-yl)butyl]-N-pyridin-2-ylpropanamide?
The IUPAC name of N-[2-(4-phenylpiperidin-1-yl)butyl]-N-pyridin-2-ylpropanamide (CID 169494201) is N-[2-(4-phenylpiperidin-1-yl)butyl]-N-pyridin-2-ylpropanamide.
What is the SMILES notation for N-[2-(4-phenylpiperidin-1-yl)butyl]-N-pyridin-2-ylpropanamide?
The canonical SMILES for N-[2-(4-phenylpiperidin-1-yl)butyl]-N-pyridin-2-ylpropanamide is CCC(=O)N(CC(CC)N1CCC(c2ccccc2)CC1)c1ccccn1.
What is the InChIKey of N-[2-(4-phenylpiperidin-1-yl)butyl]-N-pyridin-2-ylpropanamide?
The InChIKey is PGTIFUTZJAGUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O/c1-3-21(18-26(23(27)4-2)22-12-8-9-15-24-22)25-16-13-20(14-17-25)19-10-6-5-7-11-19/h5-12,15,20-21H,3-4,13-14,16-18H2,1-2H3.
What are the key properties of N-[2-(4-phenylpiperidin-1-yl)butyl]-N-pyridin-2-ylpropanamide?
N-[2-(4-phenylpiperidin-1-yl)butyl]-N-pyridin-2-ylpropanamide has a molecular weight of 365.52 g/mol, XLogP of 4.48, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-phenylpiperidin-1-yl)butyl]-N-pyridin-2-ylpropanamide is sourced from PubChem (CID 169494201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).