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

C22H27ClN2O — CID 12782338

IUPACN-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]prop-2-enamide;hydrochloride
SMILESC=CC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1.Cl
InChIInChI=1S/C22H26N2O.ClH/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;1H
InChIKeyYUHNRLIKLNYPDD-UHFFFAOYSA-N
MW370.92 g/mol
LogP4.33
Rot. Bonds6

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

N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]prop-2-enamide;hydrochloride (PubChem CID 12782338) has the molecular formula C22H27ClN2O and a molecular weight of 370.92 g/mol. Its IUPAC name is N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]prop-2-enamide;hydrochloride.

Molecular Properties

Compound NameN-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]prop-2-enamide;hydrochloride
PubChem CID12782338
Molecular FormulaC22H27ClN2O
Molecular Weight370.92 g/mol
Exact Mass370.18
IUPAC NameN-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]prop-2-enamide;hydrochloride
SMILESC=CC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1.Cl
InChIInChI=1S/C22H26N2O.ClH/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;1H
InChIKeyYUHNRLIKLNYPDD-UHFFFAOYSA-N
XLogP4.33
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.92
LogP ≤ 54.33
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;hydrochloride?
The IUPAC name of N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]prop-2-enamide;hydrochloride (CID 12782338) is N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]prop-2-enamide;hydrochloride.
What is the SMILES notation for N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]prop-2-enamide;hydrochloride?
The canonical SMILES for N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]prop-2-enamide;hydrochloride is C=CC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1.Cl.
What is the InChIKey of N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]prop-2-enamide;hydrochloride?
The InChIKey is YUHNRLIKLNYPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O.ClH/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;1H.
What are the key properties of N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]prop-2-enamide;hydrochloride?
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]prop-2-enamide;hydrochloride has a molecular weight of 370.92 g/mol, XLogP of 4.33, 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;hydrochloride is sourced from PubChem (CID 12782338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).