(3R)-1-[(4-fluorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide

C13H17FN2O2 — CID 129483740

IUPAC(3R)-1-[(4-fluorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide
SMILESNC(=O)[C@@]1(O)CCCN(Cc2ccc(F)cc2)C1
InChIInChI=1S/C13H17FN2O2/c14-11-4-2-10(3-5-11)8-16-7-1-6-13(18,9-16)12(15)17/h2-5,18H,1,6-9H2,(H2,15,17)/t13-/m1/s1
InChIKeyBVEKEBMEVOQBFB-CYBMUJFWSA-N
MW252.29 g/mol
LogP0.64
Rot. Bonds3

About (3R)-1-[(4-fluorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide

(3R)-1-[(4-fluorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide (PubChem CID 129483740) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is (3R)-1-[(4-fluorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[(4-fluorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide
PubChem CID129483740
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name(3R)-1-[(4-fluorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide
SMILESNC(=O)[C@@]1(O)CCCN(Cc2ccc(F)cc2)C1
InChIInChI=1S/C13H17FN2O2/c14-11-4-2-10(3-5-11)8-16-7-1-6-13(18,9-16)12(15)17/h2-5,18H,1,6-9H2,(H2,15,17)/t13-/m1/s1
InChIKeyBVEKEBMEVOQBFB-CYBMUJFWSA-N
XLogP0.64
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-cyanophenyl)methyl]-3-hydroxypiperidine-3-carboxamide
CID 128964591
(3S)-3-hydroxy-1-[(4-pyrazol-1-ylphenyl)methyl]piperidine-3-carboxamide
CID 129484487
1-[(2-chloro-5-fluorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide
CID 128964608
(3S)-1-[(2-bromo-4-fluorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide
CID 129482461
(3R)-1-[(5-chloro-2-fluorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide
CID 129484115
(3S)-1-[(5-chloro-2-fluorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide
CID 129484116
1-[(2,3-difluorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide
CID 128964595
(3S)-1-[(2,3-dichlorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide
CID 129484394
3-hydroxy-1-[[3-(methoxymethyl)phenyl]methyl]piperidine-3-carboxamide
CID 128982995
2-[(4-fluorophenyl)methyl]-2-azaspiro[5.5]undecane
CID 91111605
1-[(4-fluorophenyl)methyl]-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 110232340
(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 (3R)-1-[(4-fluorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide?
The IUPAC name of (3R)-1-[(4-fluorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide (CID 129483740) is (3R)-1-[(4-fluorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[(4-fluorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[(4-fluorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide is NC(=O)[C@@]1(O)CCCN(Cc2ccc(F)cc2)C1.
What is the InChIKey of (3R)-1-[(4-fluorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide?
The InChIKey is BVEKEBMEVOQBFB-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H17FN2O2/c14-11-4-2-10(3-5-11)8-16-7-1-6-13(18,9-16)12(15)17/h2-5,18H,1,6-9H2,(H2,15,17)/t13-/m1/s1.
What are the key properties of (3R)-1-[(4-fluorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide?
(3R)-1-[(4-fluorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide has a molecular weight of 252.29 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(4-fluorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide is sourced from PubChem (CID 129483740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).