N-[(4-fluoro-3-methylphenyl)methyl]-3-hydroxypiperidine-1-carboxamide

C14H19FN2O2 — CID 87002970

IUPACN-[(4-fluoro-3-methylphenyl)methyl]-3-hydroxypiperidine-1-carboxamide
SMILESCc1cc(CNC(=O)N2CCCC(O)C2)ccc1F
InChIInChI=1S/C14H19FN2O2/c1-10-7-11(4-5-13(10)15)8-16-14(19)17-6-2-3-12(18)9-17/h4-5,7,12,18H,2-3,6,8-9H2,1H3,(H,16,19)
InChIKeySHZOSUKVZAOSSD-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.80
Rot. Bonds2

About N-[(4-fluoro-3-methylphenyl)methyl]-3-hydroxypiperidine-1-carboxamide

N-[(4-fluoro-3-methylphenyl)methyl]-3-hydroxypiperidine-1-carboxamide (PubChem CID 87002970) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is N-[(4-fluoro-3-methylphenyl)methyl]-3-hydroxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-fluoro-3-methylphenyl)methyl]-3-hydroxypiperidine-1-carboxamide
PubChem CID87002970
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC NameN-[(4-fluoro-3-methylphenyl)methyl]-3-hydroxypiperidine-1-carboxamide
SMILESCc1cc(CNC(=O)N2CCCC(O)C2)ccc1F
InChIInChI=1S/C14H19FN2O2/c1-10-7-11(4-5-13(10)15)8-16-14(19)17-6-2-3-12(18)9-17/h4-5,7,12,18H,2-3,6,8-9H2,1H3,(H,16,19)
InChIKeySHZOSUKVZAOSSD-UHFFFAOYSA-N
XLogP1.80
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(4-fluoro-3-methylphenyl)methyl]-3-hydroxypiperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-3-hydroxypiperidine-1-carboxamide
CID 47768178
N-[(4-fluoro-3-methylphenyl)methyl]-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 55132319
4-[[[(3S)-3-hydroxypiperidine-1-carbonyl]amino]methyl]benzoic acid
CID 122020589
2-(4-chlorophenyl)-N-[(4-fluoro-3-methylphenyl)methyl]pyrrolidine-1-carboxamide
CID 112834890
N-[(3-bromo-4-methoxyphenyl)methyl]-3-hydroxypiperidine-1-carboxamide
CID 110922318
N-[(4-fluoro-3-methylphenyl)methyl]-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62547054
1-N,4-N-bis[(3-fluoro-4-methylphenyl)methyl]-1,4-diazepane-1,4-dicarboxamide
CID 30886315
(3S)-N-[(4,6-dimethylpyrimidin-2-yl)methyl]-3-hydroxypiperidine-1-carboxamide
CID 126433362
2-[(4-fluoro-3-methylphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 112683720
3-hydroxy-N-[(3-methyl-2-pyridinyl)methyl]piperidine-1-carboxamide
CID 111104361
2-(3,4-dimethylphenyl)-1-(3-hydroxypiperidin-1-yl)ethanone
CID 60654838
3-hydroxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidine-1-carboxamide
CID 110901464

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-3-hydroxypiperidine-1-carboxamide?
The IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-3-hydroxypiperidine-1-carboxamide (CID 87002970) is N-[(4-fluoro-3-methylphenyl)methyl]-3-hydroxypiperidine-1-carboxamide.
What is the SMILES notation for N-[(4-fluoro-3-methylphenyl)methyl]-3-hydroxypiperidine-1-carboxamide?
The canonical SMILES for N-[(4-fluoro-3-methylphenyl)methyl]-3-hydroxypiperidine-1-carboxamide is Cc1cc(CNC(=O)N2CCCC(O)C2)ccc1F.
What is the InChIKey of N-[(4-fluoro-3-methylphenyl)methyl]-3-hydroxypiperidine-1-carboxamide?
The InChIKey is SHZOSUKVZAOSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-10-7-11(4-5-13(10)15)8-16-14(19)17-6-2-3-12(18)9-17/h4-5,7,12,18H,2-3,6,8-9H2,1H3,(H,16,19).
What are the key properties of N-[(4-fluoro-3-methylphenyl)methyl]-3-hydroxypiperidine-1-carboxamide?
N-[(4-fluoro-3-methylphenyl)methyl]-3-hydroxypiperidine-1-carboxamide has a molecular weight of 266.32 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-3-methylphenyl)methyl]-3-hydroxypiperidine-1-carboxamide is sourced from PubChem (CID 87002970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).