1-[(2-chloro-5-fluorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide

C13H16ClFN2O2 — CID 128964608

IUPAC1-[(2-chloro-5-fluorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide
SMILESNC(=O)C1(O)CCCN(Cc2cc(F)ccc2Cl)C1
InChIInChI=1S/C13H16ClFN2O2/c14-11-3-2-10(15)6-9(11)7-17-5-1-4-13(19,8-17)12(16)18/h2-3,6,19H,1,4-5,7-8H2,(H2,16,18)
InChIKeyNSNYYFDRTLREAQ-UHFFFAOYSA-N
MW286.73 g/mol
LogP1.29
Rot. Bonds3

About 1-[(2-chloro-5-fluorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide

1-[(2-chloro-5-fluorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide (PubChem CID 128964608) has the molecular formula C13H16ClFN2O2 and a molecular weight of 286.73 g/mol. Its IUPAC name is 1-[(2-chloro-5-fluorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-chloro-5-fluorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide
PubChem CID128964608
Molecular FormulaC13H16ClFN2O2
Molecular Weight286.73 g/mol
Exact Mass286.09
IUPAC Name1-[(2-chloro-5-fluorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide
SMILESNC(=O)C1(O)CCCN(Cc2cc(F)ccc2Cl)C1
InChIInChI=1S/C13H16ClFN2O2/c14-11-3-2-10(15)6-9(11)7-17-5-1-4-13(19,8-17)12(16)18/h2-3,6,19H,1,4-5,7-8H2,(H2,16,18)
InChIKeyNSNYYFDRTLREAQ-UHFFFAOYSA-N
XLogP1.29
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.73
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[(2-bromo-4-fluorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide
CID 129482461
(3S)-1-[(5-chloro-2-fluorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide
CID 129484116
(3R)-1-[(5-chloro-2-fluorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide
CID 129484115
(3R)-1-[(4-fluorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide
CID 129483740
1-[(4-bromo-2-chlorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide
CID 128964607
(3S)-1-[(2,3-dichlorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide
CID 129484394
1-[(2-chloro-5-fluorophenyl)methyl]-3-ethylpiperidine-3-carboxylic acid
CID 102616840
(3S)-1-[(2-bromo-5-chlorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide
CID 129484510
1-[(2,3-difluorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide
CID 128964595
10-[(2-chloro-5-fluorophenyl)methyl]-6,10-diazaspiro[4.6]undecane
CID 102620775
1-[2-(5-fluoro-2-methoxyphenyl)acetyl]-3-hydroxypiperidine-3-carboxamide
CID 128988914
(3S)-1-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3-hydroxypiperidine-3-carboxamide
CID 100647776

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-5-fluorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide?
The IUPAC name of 1-[(2-chloro-5-fluorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide (CID 128964608) is 1-[(2-chloro-5-fluorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide.
What is the SMILES notation for 1-[(2-chloro-5-fluorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide?
The canonical SMILES for 1-[(2-chloro-5-fluorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide is NC(=O)C1(O)CCCN(Cc2cc(F)ccc2Cl)C1.
What is the InChIKey of 1-[(2-chloro-5-fluorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide?
The InChIKey is NSNYYFDRTLREAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFN2O2/c14-11-3-2-10(15)6-9(11)7-17-5-1-4-13(19,8-17)12(16)18/h2-3,6,19H,1,4-5,7-8H2,(H2,16,18).
What are the key properties of 1-[(2-chloro-5-fluorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide?
1-[(2-chloro-5-fluorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide has a molecular weight of 286.73 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-5-fluorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide is sourced from PubChem (CID 128964608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).