N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide;hydrochloride

C24H27ClN2O2 — CID 118796423

IUPACN-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide;hydrochloride
SMILESCl.O=C(c1ccco1)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C24H26N2O2.ClH/c27-24(23-12-7-19-28-23)26(21-10-5-2-6-11-21)22-14-17-25(18-15-22)16-13-20-8-3-1-4-9-20;/h1-12,19,22H,13-18H2;1H
InChIKeyMKKAYRKIIKMNAP-UHFFFAOYSA-N
MW410.94 g/mol
LogP5.06
Rot. Bonds6

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

N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide;hydrochloride (PubChem CID 118796423) has the molecular formula C24H27ClN2O2 and a molecular weight of 410.94 g/mol. Its IUPAC name is N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide;hydrochloride
PubChem CID118796423
Molecular FormulaC24H27ClN2O2
Molecular Weight410.94 g/mol
Exact Mass410.18
IUPAC NameN-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide;hydrochloride
SMILESCl.O=C(c1ccco1)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C24H26N2O2.ClH/c27-24(23-12-7-19-28-23)26(21-10-5-2-6-11-21)22-14-17-25(18-15-22)16-13-20-8-3-1-4-9-20;/h1-12,19,22H,13-18H2;1H
InChIKeyMKKAYRKIIKMNAP-UHFFFAOYSA-N
XLogP5.06
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.94
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide;hydrochloride?
The IUPAC name of N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide;hydrochloride (CID 118796423) is N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide;hydrochloride.
What is the SMILES notation for N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide;hydrochloride?
The canonical SMILES for N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide;hydrochloride is Cl.O=C(c1ccco1)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1.
What is the InChIKey of N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide;hydrochloride?
The InChIKey is MKKAYRKIIKMNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2.ClH/c27-24(23-12-7-19-28-23)26(21-10-5-2-6-11-21)22-14-17-25(18-15-22)16-13-20-8-3-1-4-9-20;/h1-12,19,22H,13-18H2;1H.
What are the key properties of N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide;hydrochloride?
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide;hydrochloride has a molecular weight of 410.94 g/mol, XLogP of 5.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide;hydrochloride is sourced from PubChem (CID 118796423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).