N-[1-(2,4-difluorophenoxy)propan-2-yl]piperidine-4-carboxamide;hydrochloride

C15H21ClF2N2O2 — CID 119299969

IUPACN-[1-(2,4-difluorophenoxy)propan-2-yl]piperidine-4-carboxamide;hydrochloride
SMILESCC(COc1ccc(F)cc1F)NC(=O)C1CCNCC1.Cl
InChIInChI=1S/C15H20F2N2O2.ClH/c1-10(19-15(20)11-4-6-18-7-5-11)9-21-14-3-2-12(16)8-13(14)17;/h2-3,8,10-11,18H,4-7,9H2,1H3,(H,19,20);1H
InChIKeyCIPVSGFEMGHFJR-UHFFFAOYSA-N
MW334.79 g/mol
LogP2.27
Rot. Bonds5

About N-[1-(2,4-difluorophenoxy)propan-2-yl]piperidine-4-carboxamide;hydrochloride

N-[1-(2,4-difluorophenoxy)propan-2-yl]piperidine-4-carboxamide;hydrochloride (PubChem CID 119299969) has the molecular formula C15H21ClF2N2O2 and a molecular weight of 334.79 g/mol. Its IUPAC name is N-[1-(2,4-difluorophenoxy)propan-2-yl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(2,4-difluorophenoxy)propan-2-yl]piperidine-4-carboxamide;hydrochloride
PubChem CID119299969
Molecular FormulaC15H21ClF2N2O2
Molecular Weight334.79 g/mol
Exact Mass334.13
IUPAC NameN-[1-(2,4-difluorophenoxy)propan-2-yl]piperidine-4-carboxamide;hydrochloride
SMILESCC(COc1ccc(F)cc1F)NC(=O)C1CCNCC1.Cl
InChIInChI=1S/C15H20F2N2O2.ClH/c1-10(19-15(20)11-4-6-18-7-5-11)9-21-14-3-2-12(16)8-13(14)17;/h2-3,8,10-11,18H,4-7,9H2,1H3,(H,19,20);1H
InChIKeyCIPVSGFEMGHFJR-UHFFFAOYSA-N
XLogP2.27
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.79
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-N-[1-(2,4-difluorophenoxy)propan-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120624769
N-[1-(2,4-difluorophenoxy)propan-2-yl]piperidine-2-carboxamide;hydrochloride
CID 119299959
1-cyclohexyl-3-[(2R)-1-(2,4-difluorophenoxy)propan-2-yl]urea
CID 94594281
1-[1-(2,4-difluorophenoxy)propan-2-yl]-3-propan-2-ylurea
CID 47377617
N-[1-(4-fluorophenyl)propan-2-yl]piperidine-4-carboxamide
CID 63010034
N-[1-(2,4-difluorophenoxy)propan-2-yl]-4-methylpiperidine-1-carboxamide
CID 60580560
2-amino-N-[1-(2,4-difluorophenoxy)propan-2-yl]-2-methylpentanamide;hydrochloride
CID 119742779
N-[1-(2,4-difluorophenoxy)propan-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120926922
1-amino-N-[1-(2,4-difluorophenoxy)propan-2-yl]cyclopentane-1-carboxamide;hydrochloride
CID 119299977
1-[(2S)-1-(2,4-difluorophenoxy)propan-2-yl]-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 94594290
1-[(2R)-1-(2,4-difluorophenoxy)propan-2-yl]-3-(2-methoxyethyl)urea
CID 94197746
1-[1-(2,4-difluorophenoxy)propan-2-yl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111438438

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorophenoxy)propan-2-yl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[1-(2,4-difluorophenoxy)propan-2-yl]piperidine-4-carboxamide;hydrochloride (CID 119299969) is N-[1-(2,4-difluorophenoxy)propan-2-yl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(2,4-difluorophenoxy)propan-2-yl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(2,4-difluorophenoxy)propan-2-yl]piperidine-4-carboxamide;hydrochloride is CC(COc1ccc(F)cc1F)NC(=O)C1CCNCC1.Cl.
What is the InChIKey of N-[1-(2,4-difluorophenoxy)propan-2-yl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is CIPVSGFEMGHFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O2.ClH/c1-10(19-15(20)11-4-6-18-7-5-11)9-21-14-3-2-12(16)8-13(14)17;/h2-3,8,10-11,18H,4-7,9H2,1H3,(H,19,20);1H.
What are the key properties of N-[1-(2,4-difluorophenoxy)propan-2-yl]piperidine-4-carboxamide;hydrochloride?
N-[1-(2,4-difluorophenoxy)propan-2-yl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 334.79 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-difluorophenoxy)propan-2-yl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119299969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).