N-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxypiperidine-1-carboxamide

C13H14ClF3N2O2 — CID 3236653

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxypiperidine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCCC(O)C1
InChIInChI=1S/C13H14ClF3N2O2/c14-11-4-3-8(6-10(11)13(15,16)17)18-12(21)19-5-1-2-9(20)7-19/h3-4,6,9,20H,1-2,5,7H2,(H,18,21)
InChIKeyMWTQDQHODUHRRP-UHFFFAOYSA-N
MW322.71 g/mol
LogP3.35
Rot. Bonds1

About N-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxypiperidine-1-carboxamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxypiperidine-1-carboxamide (PubChem CID 3236653) has the molecular formula C13H14ClF3N2O2 and a molecular weight of 322.71 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxypiperidine-1-carboxamide
PubChem CID3236653
Molecular FormulaC13H14ClF3N2O2
Molecular Weight322.71 g/mol
Exact Mass322.07
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxypiperidine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCCC(O)C1
InChIInChI=1S/C13H14ClF3N2O2/c14-11-4-3-8(6-10(11)13(15,16)17)18-12(21)19-5-1-2-9(20)7-19/h3-4,6,9,20H,1-2,5,7H2,(H,18,21)
InChIKeyMWTQDQHODUHRRP-UHFFFAOYSA-N
XLogP3.35
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.71
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxypiperidine-1-carboxamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxypiperidine-1-carboxamide (CID 3236653) is N-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxypiperidine-1-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxypiperidine-1-carboxamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxypiperidine-1-carboxamide is O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCCC(O)C1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxypiperidine-1-carboxamide?
The InChIKey is MWTQDQHODUHRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClF3N2O2/c14-11-4-3-8(6-10(11)13(15,16)17)18-12(21)19-5-1-2-9(20)7-19/h3-4,6,9,20H,1-2,5,7H2,(H,18,21).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxypiperidine-1-carboxamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxypiperidine-1-carboxamide has a molecular weight of 322.71 g/mol, XLogP of 3.35, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxypiperidine-1-carboxamide is sourced from PubChem (CID 3236653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).