N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]prop-2-enamide

C22H26N2O — CID 10314851

IUPACN-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]prop-2-enamide
SMILESC=CC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C22H26N2O/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19/h2-12,21H,1,13-18H2
InChIKeyRFQNLMWUIJJEQF-UHFFFAOYSA-N
MW334.46 g/mol
LogP3.91
Rot. Bonds6

About N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]prop-2-enamide

N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]prop-2-enamide (PubChem CID 10314851) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]prop-2-enamide.

Molecular Properties

Compound NameN-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]prop-2-enamide
PubChem CID10314851
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC NameN-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]prop-2-enamide
SMILESC=CC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C22H26N2O/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19/h2-12,21H,1,13-18H2
InChIKeyRFQNLMWUIJJEQF-UHFFFAOYSA-N
XLogP3.91
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]prop-2-enamide?
The IUPAC name of N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]prop-2-enamide (CID 10314851) is N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]prop-2-enamide.
What is the SMILES notation for N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]prop-2-enamide?
The canonical SMILES for N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]prop-2-enamide is C=CC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1.
What is the InChIKey of N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]prop-2-enamide?
The InChIKey is RFQNLMWUIJJEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19/h2-12,21H,1,13-18H2.
What are the key properties of N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]prop-2-enamide?
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]prop-2-enamide has a molecular weight of 334.46 g/mol, XLogP of 3.91, 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-4-yl]prop-2-enamide is sourced from PubChem (CID 10314851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).