N-[1-(2,4-difluorophenoxy)propan-2-yl]-4-methylpiperidine-1-carboxamide

C16H22F2N2O2 — CID 60580560

IUPACN-[1-(2,4-difluorophenoxy)propan-2-yl]-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)NC(C)COc2ccc(F)cc2F)CC1
InChIInChI=1S/C16H22F2N2O2/c1-11-5-7-20(8-6-11)16(21)19-12(2)10-22-15-4-3-13(17)9-14(15)18/h3-4,9,11-12H,5-8,10H2,1-2H3,(H,19,21)
InChIKeyGHEVWIWLHCMVJI-UHFFFAOYSA-N
MW312.36 g/mol
LogP3.17
Rot. Bonds4

About N-[1-(2,4-difluorophenoxy)propan-2-yl]-4-methylpiperidine-1-carboxamide

N-[1-(2,4-difluorophenoxy)propan-2-yl]-4-methylpiperidine-1-carboxamide (PubChem CID 60580560) has the molecular formula C16H22F2N2O2 and a molecular weight of 312.36 g/mol. Its IUPAC name is N-[1-(2,4-difluorophenoxy)propan-2-yl]-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2,4-difluorophenoxy)propan-2-yl]-4-methylpiperidine-1-carboxamide
PubChem CID60580560
Molecular FormulaC16H22F2N2O2
Molecular Weight312.36 g/mol
Exact Mass312.16
IUPAC NameN-[1-(2,4-difluorophenoxy)propan-2-yl]-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)NC(C)COc2ccc(F)cc2F)CC1
InChIInChI=1S/C16H22F2N2O2/c1-11-5-7-20(8-6-11)16(21)19-12(2)10-22-15-4-3-13(17)9-14(15)18/h3-4,9,11-12H,5-8,10H2,1-2H3,(H,19,21)
InChIKeyGHEVWIWLHCMVJI-UHFFFAOYSA-N
XLogP3.17
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorophenoxy)propan-2-yl]-4-methylpiperidine-1-carboxamide?
The IUPAC name of N-[1-(2,4-difluorophenoxy)propan-2-yl]-4-methylpiperidine-1-carboxamide (CID 60580560) is N-[1-(2,4-difluorophenoxy)propan-2-yl]-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-[1-(2,4-difluorophenoxy)propan-2-yl]-4-methylpiperidine-1-carboxamide?
The canonical SMILES for N-[1-(2,4-difluorophenoxy)propan-2-yl]-4-methylpiperidine-1-carboxamide is CC1CCN(C(=O)NC(C)COc2ccc(F)cc2F)CC1.
What is the InChIKey of N-[1-(2,4-difluorophenoxy)propan-2-yl]-4-methylpiperidine-1-carboxamide?
The InChIKey is GHEVWIWLHCMVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O2/c1-11-5-7-20(8-6-11)16(21)19-12(2)10-22-15-4-3-13(17)9-14(15)18/h3-4,9,11-12H,5-8,10H2,1-2H3,(H,19,21).
What are the key properties of N-[1-(2,4-difluorophenoxy)propan-2-yl]-4-methylpiperidine-1-carboxamide?
N-[1-(2,4-difluorophenoxy)propan-2-yl]-4-methylpiperidine-1-carboxamide has a molecular weight of 312.36 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-difluorophenoxy)propan-2-yl]-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 60580560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).