N-[(3S)-1-[3-(difluoromethoxy)phenyl]piperidin-3-yl]cyclopropanecarboxamide

C16H20F2N2O2 — CID 53320893

IUPACN-[(3S)-1-[3-(difluoromethoxy)phenyl]piperidin-3-yl]cyclopropanecarboxamide
SMILESO=C(N[C@H]1CCCN(c2cccc(OC(F)F)c2)C1)C1CC1
InChIInChI=1S/C16H20F2N2O2/c17-16(18)22-14-5-1-4-13(9-14)20-8-2-3-12(10-20)19-15(21)11-6-7-11/h1,4-5,9,11-12,16H,2-3,6-8,10H2,(H,19,21)/t12-/m0/s1
InChIKeyLIEOKZFVMWFEHQ-LBPRGKRZSA-N
MW310.34 g/mol
LogP2.78
Rot. Bonds5

About N-[(3S)-1-[3-(difluoromethoxy)phenyl]piperidin-3-yl]cyclopropanecarboxamide

N-[(3S)-1-[3-(difluoromethoxy)phenyl]piperidin-3-yl]cyclopropanecarboxamide (PubChem CID 53320893) has the molecular formula C16H20F2N2O2 and a molecular weight of 310.34 g/mol. Its IUPAC name is N-[(3S)-1-[3-(difluoromethoxy)phenyl]piperidin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(3S)-1-[3-(difluoromethoxy)phenyl]piperidin-3-yl]cyclopropanecarboxamide
PubChem CID53320893
Molecular FormulaC16H20F2N2O2
Molecular Weight310.34 g/mol
Exact Mass310.15
IUPAC NameN-[(3S)-1-[3-(difluoromethoxy)phenyl]piperidin-3-yl]cyclopropanecarboxamide
SMILESO=C(N[C@H]1CCCN(c2cccc(OC(F)F)c2)C1)C1CC1
InChIInChI=1S/C16H20F2N2O2/c17-16(18)22-14-5-1-4-13(9-14)20-8-2-3-12(10-20)19-15(21)11-6-7-11/h1,4-5,9,11-12,16H,2-3,6-8,10H2,(H,19,21)/t12-/m0/s1
InChIKeyLIEOKZFVMWFEHQ-LBPRGKRZSA-N
XLogP2.78
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[3-(difluoromethoxy)phenyl]piperidin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[(3S)-1-[3-(difluoromethoxy)phenyl]piperidin-3-yl]cyclopropanecarboxamide (CID 53320893) is N-[(3S)-1-[3-(difluoromethoxy)phenyl]piperidin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(3S)-1-[3-(difluoromethoxy)phenyl]piperidin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[(3S)-1-[3-(difluoromethoxy)phenyl]piperidin-3-yl]cyclopropanecarboxamide is O=C(N[C@H]1CCCN(c2cccc(OC(F)F)c2)C1)C1CC1.
What is the InChIKey of N-[(3S)-1-[3-(difluoromethoxy)phenyl]piperidin-3-yl]cyclopropanecarboxamide?
The InChIKey is LIEOKZFVMWFEHQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H20F2N2O2/c17-16(18)22-14-5-1-4-13(9-14)20-8-2-3-12(10-20)19-15(21)11-6-7-11/h1,4-5,9,11-12,16H,2-3,6-8,10H2,(H,19,21)/t12-/m0/s1.
What are the key properties of N-[(3S)-1-[3-(difluoromethoxy)phenyl]piperidin-3-yl]cyclopropanecarboxamide?
N-[(3S)-1-[3-(difluoromethoxy)phenyl]piperidin-3-yl]cyclopropanecarboxamide has a molecular weight of 310.34 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[3-(difluoromethoxy)phenyl]piperidin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 53320893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).