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

C22H28N2O — CID 172755097

IUPACN-phenyl-N-[2-(1-phenylethyl)piperidin-1-yl]propanamide
SMILESCCC(=O)N(c1ccccc1)N1CCCCC1C(C)c1ccccc1
InChIInChI=1S/C22H28N2O/c1-3-22(25)24(20-14-8-5-9-15-20)23-17-11-10-16-21(23)18(2)19-12-6-4-7-13-19/h4-9,12-15,18,21H,3,10-11,16-17H2,1-2H3
InChIKeyKXHOYUTZIDQPFQ-UHFFFAOYSA-N
MW336.48 g/mol
LogP5.00
Rot. Bonds5

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

N-phenyl-N-[2-(1-phenylethyl)piperidin-1-yl]propanamide (PubChem CID 172755097) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is N-phenyl-N-[2-(1-phenylethyl)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-phenyl-N-[2-(1-phenylethyl)piperidin-1-yl]propanamide
PubChem CID172755097
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC NameN-phenyl-N-[2-(1-phenylethyl)piperidin-1-yl]propanamide
SMILESCCC(=O)N(c1ccccc1)N1CCCCC1C(C)c1ccccc1
InChIInChI=1S/C22H28N2O/c1-3-22(25)24(20-14-8-5-9-15-20)23-17-11-10-16-21(23)18(2)19-12-6-4-7-13-19/h4-9,12-15,18,21H,3,10-11,16-17H2,1-2H3
InChIKeyKXHOYUTZIDQPFQ-UHFFFAOYSA-N
XLogP5.00
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.48
LogP ≤ 55.00
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-(1-phenylethyl)piperidin-1-yl]propanamide?
The IUPAC name of N-phenyl-N-[2-(1-phenylethyl)piperidin-1-yl]propanamide (CID 172755097) is N-phenyl-N-[2-(1-phenylethyl)piperidin-1-yl]propanamide.
What is the SMILES notation for N-phenyl-N-[2-(1-phenylethyl)piperidin-1-yl]propanamide?
The canonical SMILES for N-phenyl-N-[2-(1-phenylethyl)piperidin-1-yl]propanamide is CCC(=O)N(c1ccccc1)N1CCCCC1C(C)c1ccccc1.
What is the InChIKey of N-phenyl-N-[2-(1-phenylethyl)piperidin-1-yl]propanamide?
The InChIKey is KXHOYUTZIDQPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O/c1-3-22(25)24(20-14-8-5-9-15-20)23-17-11-10-16-21(23)18(2)19-12-6-4-7-13-19/h4-9,12-15,18,21H,3,10-11,16-17H2,1-2H3.
What are the key properties of N-phenyl-N-[2-(1-phenylethyl)piperidin-1-yl]propanamide?
N-phenyl-N-[2-(1-phenylethyl)piperidin-1-yl]propanamide has a molecular weight of 336.48 g/mol, XLogP of 5.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[2-(1-phenylethyl)piperidin-1-yl]propanamide is sourced from PubChem (CID 172755097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).