N-[2-[1-[[4-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide

C22H28F2N4O2 — CID 24817009

IUPACN-[2-[1-[[4-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
SMILESO=C(Nc1ccnn1C1CCN(Cc2ccc(OC(F)F)cc2)CC1)C1CCCC1
InChIInChI=1S/C22H28F2N4O2/c23-22(24)30-19-7-5-16(6-8-19)15-27-13-10-18(11-14-27)28-20(9-12-25-28)26-21(29)17-3-1-2-4-17/h5-9,12,17-18,22H,1-4,10-11,13-15H2,(H,26,29)
InChIKeyIPBGOGJVRVDOMV-UHFFFAOYSA-N
MW418.49 g/mol
LogP4.45
Rot. Bonds7

About N-[2-[1-[[4-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide

N-[2-[1-[[4-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide (PubChem CID 24817009) has the molecular formula C22H28F2N4O2 and a molecular weight of 418.49 g/mol. Its IUPAC name is N-[2-[1-[[4-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-[1-[[4-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
PubChem CID24817009
Molecular FormulaC22H28F2N4O2
Molecular Weight418.49 g/mol
Exact Mass418.22
IUPAC NameN-[2-[1-[[4-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
SMILESO=C(Nc1ccnn1C1CCN(Cc2ccc(OC(F)F)cc2)CC1)C1CCCC1
InChIInChI=1S/C22H28F2N4O2/c23-22(24)30-19-7-5-16(6-8-19)15-27-13-10-18(11-14-27)28-20(9-12-25-28)26-21(29)17-3-1-2-4-17/h5-9,12,17-18,22H,1-4,10-11,13-15H2,(H,26,29)
InChIKeyIPBGOGJVRVDOMV-UHFFFAOYSA-N
XLogP4.45
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[[4-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide?
The IUPAC name of N-[2-[1-[[4-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide (CID 24817009) is N-[2-[1-[[4-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-[1-[[4-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-[1-[[4-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide is O=C(Nc1ccnn1C1CCN(Cc2ccc(OC(F)F)cc2)CC1)C1CCCC1.
What is the InChIKey of N-[2-[1-[[4-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide?
The InChIKey is IPBGOGJVRVDOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28F2N4O2/c23-22(24)30-19-7-5-16(6-8-19)15-27-13-10-18(11-14-27)28-20(9-12-25-28)26-21(29)17-3-1-2-4-17/h5-9,12,17-18,22H,1-4,10-11,13-15H2,(H,26,29).
What are the key properties of N-[2-[1-[[4-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide?
N-[2-[1-[[4-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide has a molecular weight of 418.49 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[[4-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide is sourced from PubChem (CID 24817009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).