N-[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-methylpiperidine-3-carboxamide;hydrochloride

C15H21Cl2FN2O2 — CID 110012499

IUPACN-[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-methylpiperidine-3-carboxamide;hydrochloride
SMILESCC1(C(=O)NCC(O)c2ccc(Cl)c(F)c2)CCCNC1.Cl
InChIInChI=1S/C15H20ClFN2O2.ClH/c1-15(5-2-6-18-9-15)14(21)19-8-13(20)10-3-4-11(16)12(17)7-10;/h3-4,7,13,18,20H,2,5-6,8-9H2,1H3,(H,19,21);1H
InChIKeyCAIZNEWHRUADSP-UHFFFAOYSA-N
MW351.25 g/mol
LogP2.44
Rot. Bonds4

About N-[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-methylpiperidine-3-carboxamide;hydrochloride

N-[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-methylpiperidine-3-carboxamide;hydrochloride (PubChem CID 110012499) has the molecular formula C15H21Cl2FN2O2 and a molecular weight of 351.25 g/mol. Its IUPAC name is N-[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-methylpiperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-methylpiperidine-3-carboxamide;hydrochloride
PubChem CID110012499
Molecular FormulaC15H21Cl2FN2O2
Molecular Weight351.25 g/mol
Exact Mass350.10
IUPAC NameN-[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-methylpiperidine-3-carboxamide;hydrochloride
SMILESCC1(C(=O)NCC(O)c2ccc(Cl)c(F)c2)CCCNC1.Cl
InChIInChI=1S/C15H20ClFN2O2.ClH/c1-15(5-2-6-18-9-15)14(21)19-8-13(20)10-3-4-11(16)12(17)7-10;/h3-4,7,13,18,20H,2,5-6,8-9H2,1H3,(H,19,21);1H
InChIKeyCAIZNEWHRUADSP-UHFFFAOYSA-N
XLogP2.44
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.25
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-methylpiperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-methylpiperidine-3-carboxamide;hydrochloride (CID 110012499) is N-[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-methylpiperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-methylpiperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-methylpiperidine-3-carboxamide;hydrochloride is CC1(C(=O)NCC(O)c2ccc(Cl)c(F)c2)CCCNC1.Cl.
What is the InChIKey of N-[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-methylpiperidine-3-carboxamide;hydrochloride?
The InChIKey is CAIZNEWHRUADSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClFN2O2.ClH/c1-15(5-2-6-18-9-15)14(21)19-8-13(20)10-3-4-11(16)12(17)7-10;/h3-4,7,13,18,20H,2,5-6,8-9H2,1H3,(H,19,21);1H.
What are the key properties of N-[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-methylpiperidine-3-carboxamide;hydrochloride?
N-[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-methylpiperidine-3-carboxamide;hydrochloride has a molecular weight of 351.25 g/mol, XLogP of 2.44, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-methylpiperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 110012499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).