N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide

C18H26FN3O2 — CID 111428371

IUPACN-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESCc1ccc(F)c(N2CCCC(NC(=O)N3CCCC3CO)C2)c1
InChIInChI=1S/C18H26FN3O2/c1-13-6-7-16(19)17(10-13)21-8-2-4-14(11-21)20-18(24)22-9-3-5-15(22)12-23/h6-7,10,14-15,23H,2-5,8-9,11-12H2,1H3,(H,20,24)
InChIKeySQTFIHXZDBGIFD-UHFFFAOYSA-N
MW335.42 g/mol
LogP2.27
Rot. Bonds3

About N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide

N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide (PubChem CID 111428371) has the molecular formula C18H26FN3O2 and a molecular weight of 335.42 g/mol. Its IUPAC name is N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
PubChem CID111428371
Molecular FormulaC18H26FN3O2
Molecular Weight335.42 g/mol
Exact Mass335.20
IUPAC NameN-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESCc1ccc(F)c(N2CCCC(NC(=O)N3CCCC3CO)C2)c1
InChIInChI=1S/C18H26FN3O2/c1-13-6-7-16(19)17(10-13)21-8-2-4-14(11-21)20-18(24)22-9-3-5-15(22)12-23/h6-7,10,14-15,23H,2-5,8-9,11-12H2,1H3,(H,20,24)
InChIKeySQTFIHXZDBGIFD-UHFFFAOYSA-N
XLogP2.27
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[(3R)-1-(2-fluorophenyl)piperidin-3-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 97249227
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111444175
1-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-(2-hydroxyethyl)urea
CID 111424850
2-(hydroxymethyl)-N-(1-phenylpiperidin-3-yl)pyrrolidine-1-carboxamide
CID 111428348
2,5-difluoro-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]benzamide
CID 86965224
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-(3-fluorophenyl)acetamide
CID 86965219
N-[(3S)-1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-pyrazol-1-ylacetamide
CID 95629388
3-[(3S)-1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-1-[(3R)-3-hydroxybutyl]-1-methylurea
CID 97069908
1-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-4-N-propylpiperidine-1,4-dicarboxamide
CID 86967402
N-[(3R)-1-(2-fluoro-5-methylphenyl)piperidin-3-yl]methanesulfonamide
CID 95629495
1-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-(1-propylsulfonylpiperidin-4-yl)urea
CID 86966897
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-4-oxo-4-phenylbutanamide
CID 86966256

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide (CID 111428371) is N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide is Cc1ccc(F)c(N2CCCC(NC(=O)N3CCCC3CO)C2)c1.
What is the InChIKey of N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The InChIKey is SQTFIHXZDBGIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O2/c1-13-6-7-16(19)17(10-13)21-8-2-4-14(11-21)20-18(24)22-9-3-5-15(22)12-23/h6-7,10,14-15,23H,2-5,8-9,11-12H2,1H3,(H,20,24).
What are the key properties of N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide has a molecular weight of 335.42 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 111428371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).