N-phenyl-N-[2-(4-phenylpiperidin-1-yl)propyl]propanamide

C23H30N2O — CID 3048549

IUPACN-phenyl-N-[2-(4-phenylpiperidin-1-yl)propyl]propanamide
SMILESCCC(=O)N(CC(C)N1CCC(c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C23H30N2O/c1-3-23(26)25(22-12-8-5-9-13-22)18-19(2)24-16-14-21(15-17-24)20-10-6-4-7-11-20/h4-13,19,21H,3,14-18H2,1-2H3
InChIKeyGTAYOEOGYMYOHF-UHFFFAOYSA-N
MW350.51 g/mol
LogP4.70
Rot. Bonds6

About N-phenyl-N-[2-(4-phenylpiperidin-1-yl)propyl]propanamide

N-phenyl-N-[2-(4-phenylpiperidin-1-yl)propyl]propanamide (PubChem CID 3048549) has the molecular formula C23H30N2O and a molecular weight of 350.51 g/mol. Its IUPAC name is N-phenyl-N-[2-(4-phenylpiperidin-1-yl)propyl]propanamide.

Molecular Properties

Compound NameN-phenyl-N-[2-(4-phenylpiperidin-1-yl)propyl]propanamide
PubChem CID3048549
Molecular FormulaC23H30N2O
Molecular Weight350.51 g/mol
Exact Mass350.24
IUPAC NameN-phenyl-N-[2-(4-phenylpiperidin-1-yl)propyl]propanamide
SMILESCCC(=O)N(CC(C)N1CCC(c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C23H30N2O/c1-3-23(26)25(22-12-8-5-9-13-22)18-19(2)24-16-14-21(15-17-24)20-10-6-4-7-11-20/h4-13,19,21H,3,14-18H2,1-2H3
InChIKeyGTAYOEOGYMYOHF-UHFFFAOYSA-N
XLogP4.70
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[2-(4-phenylpiperidin-1-yl)propyl]propanamide?
The IUPAC name of N-phenyl-N-[2-(4-phenylpiperidin-1-yl)propyl]propanamide (CID 3048549) is N-phenyl-N-[2-(4-phenylpiperidin-1-yl)propyl]propanamide.
What is the SMILES notation for N-phenyl-N-[2-(4-phenylpiperidin-1-yl)propyl]propanamide?
The canonical SMILES for N-phenyl-N-[2-(4-phenylpiperidin-1-yl)propyl]propanamide is CCC(=O)N(CC(C)N1CCC(c2ccccc2)CC1)c1ccccc1.
What is the InChIKey of N-phenyl-N-[2-(4-phenylpiperidin-1-yl)propyl]propanamide?
The InChIKey is GTAYOEOGYMYOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O/c1-3-23(26)25(22-12-8-5-9-13-22)18-19(2)24-16-14-21(15-17-24)20-10-6-4-7-11-20/h4-13,19,21H,3,14-18H2,1-2H3.
What are the key properties of N-phenyl-N-[2-(4-phenylpiperidin-1-yl)propyl]propanamide?
N-phenyl-N-[2-(4-phenylpiperidin-1-yl)propyl]propanamide has a molecular weight of 350.51 g/mol, XLogP of 4.70, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[2-(4-phenylpiperidin-1-yl)propyl]propanamide is sourced from PubChem (CID 3048549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).