N-[1-(4-fluorophenoxy)propan-2-yl]-3-hydroxy-4-methylpiperidine-1-carboxamide

C16H23FN2O3 — CID 75441282

IUPACN-[1-(4-fluorophenoxy)propan-2-yl]-3-hydroxy-4-methylpiperidine-1-carboxamide
SMILESCC(COc1ccc(F)cc1)NC(=O)N1CCC(C)C(O)C1
InChIInChI=1S/C16H23FN2O3/c1-11-7-8-19(9-15(11)20)16(21)18-12(2)10-22-14-5-3-13(17)4-6-14/h3-6,11-12,15,20H,7-10H2,1-2H3,(H,18,21)
InChIKeyRGISQHPKPFDFRK-UHFFFAOYSA-N
MW310.37 g/mol
LogP2.01
Rot. Bonds4

About N-[1-(4-fluorophenoxy)propan-2-yl]-3-hydroxy-4-methylpiperidine-1-carboxamide

N-[1-(4-fluorophenoxy)propan-2-yl]-3-hydroxy-4-methylpiperidine-1-carboxamide (PubChem CID 75441282) has the molecular formula C16H23FN2O3 and a molecular weight of 310.37 g/mol. Its IUPAC name is N-[1-(4-fluorophenoxy)propan-2-yl]-3-hydroxy-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenoxy)propan-2-yl]-3-hydroxy-4-methylpiperidine-1-carboxamide
PubChem CID75441282
Molecular FormulaC16H23FN2O3
Molecular Weight310.37 g/mol
Exact Mass310.17
IUPAC NameN-[1-(4-fluorophenoxy)propan-2-yl]-3-hydroxy-4-methylpiperidine-1-carboxamide
SMILESCC(COc1ccc(F)cc1)NC(=O)N1CCC(C)C(O)C1
InChIInChI=1S/C16H23FN2O3/c1-11-7-8-19(9-15(11)20)16(21)18-12(2)10-22-14-5-3-13(17)4-6-14/h3-6,11-12,15,20H,7-10H2,1-2H3,(H,18,21)
InChIKeyRGISQHPKPFDFRK-UHFFFAOYSA-N
XLogP2.01
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-fluorophenoxy)propan-2-yl]-3,3-bis(trifluoromethyl)pyrrolidine-1-carboxamide
CID 86966966
(5R)-N-[(2R)-1-(4-fluorophenoxy)propan-2-yl]-5-methyl-1,4-oxazepane-4-carboxamide
CID 97128552
N-[1-(2,4-difluorophenoxy)propan-2-yl]-4-methylpiperidine-1-carboxamide
CID 60580560
1-N-[1-(4-methylphenoxy)propan-2-yl]piperidine-1,4-dicarboxamide
CID 51096030
1-(1-cyclopropylpiperidin-4-yl)-3-[1-(4-fluorophenoxy)propan-2-yl]urea
CID 86826887
N-[1-(2-fluorophenoxy)propan-2-yl]-3,5-dimethylpiperidine-1-carboxamide
CID 60577814
3-hydroxy-N-[1-(3-methylphenoxy)propan-2-yl]piperidine-1-carboxamide
CID 110903274
3-hydroxy-N-[1-[2-(trifluoromethyl)phenoxy]propan-2-yl]piperidine-1-carboxamide
CID 110904080
4-N,4-N-diethyl-1-N-[(2R)-1-(3-fluorophenoxy)propan-2-yl]piperidine-1,4-dicarboxamide
CID 52520848
2-(4-fluorophenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone
CID 66291676
N-[1-(4-fluorophenoxy)propan-2-yl]-1-hydroxycyclopentane-1-carboxamide
CID 110907559
(2R)-3-hydroxy-2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 102961873

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenoxy)propan-2-yl]-3-hydroxy-4-methylpiperidine-1-carboxamide?
The IUPAC name of N-[1-(4-fluorophenoxy)propan-2-yl]-3-hydroxy-4-methylpiperidine-1-carboxamide (CID 75441282) is N-[1-(4-fluorophenoxy)propan-2-yl]-3-hydroxy-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenoxy)propan-2-yl]-3-hydroxy-4-methylpiperidine-1-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenoxy)propan-2-yl]-3-hydroxy-4-methylpiperidine-1-carboxamide is CC(COc1ccc(F)cc1)NC(=O)N1CCC(C)C(O)C1.
What is the InChIKey of N-[1-(4-fluorophenoxy)propan-2-yl]-3-hydroxy-4-methylpiperidine-1-carboxamide?
The InChIKey is RGISQHPKPFDFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O3/c1-11-7-8-19(9-15(11)20)16(21)18-12(2)10-22-14-5-3-13(17)4-6-14/h3-6,11-12,15,20H,7-10H2,1-2H3,(H,18,21).
What are the key properties of N-[1-(4-fluorophenoxy)propan-2-yl]-3-hydroxy-4-methylpiperidine-1-carboxamide?
N-[1-(4-fluorophenoxy)propan-2-yl]-3-hydroxy-4-methylpiperidine-1-carboxamide has a molecular weight of 310.37 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenoxy)propan-2-yl]-3-hydroxy-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 75441282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).