N-phenyl-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide

C22H28N2O — CID 12741870

IUPACN-phenyl-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide
SMILESCCC(=O)N(c1ccccc1)C1CCCN(CCc2ccccc2)C1
InChIInChI=1S/C22H28N2O/c1-2-22(25)24(20-12-7-4-8-13-20)21-14-9-16-23(18-21)17-15-19-10-5-3-6-11-19/h3-8,10-13,21H,2,9,14-18H2,1H3
InChIKeyDNNMISCMTBYZKU-UHFFFAOYSA-N
MW336.48 g/mol
LogP4.14
Rot. Bonds6

About N-phenyl-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide

N-phenyl-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide (PubChem CID 12741870) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is N-phenyl-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-phenyl-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide
PubChem CID12741870
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC NameN-phenyl-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide
SMILESCCC(=O)N(c1ccccc1)C1CCCN(CCc2ccccc2)C1
InChIInChI=1S/C22H28N2O/c1-2-22(25)24(20-12-7-4-8-13-20)21-14-9-16-23(18-21)17-15-19-10-5-3-6-11-19/h3-8,10-13,21H,2,9,14-18H2,1H3
InChIKeyDNNMISCMTBYZKU-UHFFFAOYSA-N
XLogP4.14
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide?
The IUPAC name of N-phenyl-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide (CID 12741870) is N-phenyl-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide.
What is the SMILES notation for N-phenyl-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide?
The canonical SMILES for N-phenyl-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide is CCC(=O)N(c1ccccc1)C1CCCN(CCc2ccccc2)C1.
What is the InChIKey of N-phenyl-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide?
The InChIKey is DNNMISCMTBYZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O/c1-2-22(25)24(20-12-7-4-8-13-20)21-14-9-16-23(18-21)17-15-19-10-5-3-6-11-19/h3-8,10-13,21H,2,9,14-18H2,1H3.
What are the key properties of N-phenyl-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide?
N-phenyl-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide has a molecular weight of 336.48 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide is sourced from PubChem (CID 12741870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).