N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]piperidine-2-carboxamide;hydrochloride

C15H21ClF2N2O3 — CID 119319070

IUPACN-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]piperidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCC(O)COc1ccc(F)c(F)c1)C1CCCCN1
InChIInChI=1S/C15H20F2N2O3.ClH/c16-12-5-4-11(7-13(12)17)22-9-10(20)8-19-15(21)14-3-1-2-6-18-14;/h4-5,7,10,14,18,20H,1-3,6,8-9H2,(H,19,21);1H
InChIKeyZUAUKOQEAPFCAS-UHFFFAOYSA-N
MW350.79 g/mol
LogP1.38
Rot. Bonds6

About N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]piperidine-2-carboxamide;hydrochloride

N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]piperidine-2-carboxamide;hydrochloride (PubChem CID 119319070) has the molecular formula C15H21ClF2N2O3 and a molecular weight of 350.79 g/mol. Its IUPAC name is N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]piperidine-2-carboxamide;hydrochloride
PubChem CID119319070
Molecular FormulaC15H21ClF2N2O3
Molecular Weight350.79 g/mol
Exact Mass350.12
IUPAC NameN-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]piperidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCC(O)COc1ccc(F)c(F)c1)C1CCCCN1
InChIInChI=1S/C15H20F2N2O3.ClH/c16-12-5-4-11(7-13(12)17)22-9-10(20)8-19-15(21)14-3-1-2-6-18-14;/h4-5,7,10,14,18,20H,1-3,6,8-9H2,(H,19,21);1H
InChIKeyZUAUKOQEAPFCAS-UHFFFAOYSA-N
XLogP1.38
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.79
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]cyclohexanecarboxamide
CID 111102881
N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]cyclobutanecarboxamide
CID 111102858
N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119305067
1-(dicyclopropylmethyl)-3-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]urea
CID 111103979
1-(cyclopentylamino)-3-(3,4-difluorophenoxy)propan-2-ol
CID 111104815
2-[cyclopropyl(methyl)amino]-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]acetamide
CID 111102915
1-amino-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]cyclopropane-1-carboxamide
CID 119775896
3-amino-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]propanamide
CID 119319079
(2S)-2-amino-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-3-methylbutanamide;hydrochloride
CID 119319094
N-[(2,5-difluorophenyl)methyl]piperidine-2-carboxamide
CID 63795889
N-[2-(3-chlorophenoxy)propyl]piperidine-2-carboxamide
CID 119336972
N-(2,3-dihydroxypropyl)piperidine-2-carboxamide
CID 66170810

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]piperidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]piperidine-2-carboxamide;hydrochloride (CID 119319070) is N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]piperidine-2-carboxamide;hydrochloride is Cl.O=C(NCC(O)COc1ccc(F)c(F)c1)C1CCCCN1.
What is the InChIKey of N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]piperidine-2-carboxamide;hydrochloride?
The InChIKey is ZUAUKOQEAPFCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O3.ClH/c16-12-5-4-11(7-13(12)17)22-9-10(20)8-19-15(21)14-3-1-2-6-18-14;/h4-5,7,10,14,18,20H,1-3,6,8-9H2,(H,19,21);1H.
What are the key properties of N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]piperidine-2-carboxamide;hydrochloride?
N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]piperidine-2-carboxamide;hydrochloride has a molecular weight of 350.79 g/mol, XLogP of 1.38, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119319070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).