N-[2-[1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide

C22H29FN4O2 — CID 25296944

IUPACN-[2-[1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
SMILESCOc1ccc(F)c(CN2CCC(n3nccc3NC(=O)C3CCCC3)CC2)c1
InChIInChI=1S/C22H29FN4O2/c1-29-19-6-7-20(23)17(14-19)15-26-12-9-18(10-13-26)27-21(8-11-24-27)25-22(28)16-4-2-3-5-16/h6-8,11,14,16,18H,2-5,9-10,12-13,15H2,1H3,(H,25,28)
InChIKeyQKWDQONQIIRBHX-UHFFFAOYSA-N
MW400.50 g/mol
LogP4.00
Rot. Bonds6

About N-[2-[1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide

N-[2-[1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide (PubChem CID 25296944) has the molecular formula C22H29FN4O2 and a molecular weight of 400.50 g/mol. Its IUPAC name is N-[2-[1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-[1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
PubChem CID25296944
Molecular FormulaC22H29FN4O2
Molecular Weight400.50 g/mol
Exact Mass400.23
IUPAC NameN-[2-[1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
SMILESCOc1ccc(F)c(CN2CCC(n3nccc3NC(=O)C3CCCC3)CC2)c1
InChIInChI=1S/C22H29FN4O2/c1-29-19-6-7-20(23)17(14-19)15-26-12-9-18(10-13-26)27-21(8-11-24-27)25-22(28)16-4-2-3-5-16/h6-8,11,14,16,18H,2-5,9-10,12-13,15H2,1H3,(H,25,28)
InChIKeyQKWDQONQIIRBHX-UHFFFAOYSA-N
XLogP4.00
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide?
The IUPAC name of N-[2-[1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide (CID 25296944) is N-[2-[1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-[1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-[1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide is COc1ccc(F)c(CN2CCC(n3nccc3NC(=O)C3CCCC3)CC2)c1.
What is the InChIKey of N-[2-[1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide?
The InChIKey is QKWDQONQIIRBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN4O2/c1-29-19-6-7-20(23)17(14-19)15-26-12-9-18(10-13-26)27-21(8-11-24-27)25-22(28)16-4-2-3-5-16/h6-8,11,14,16,18H,2-5,9-10,12-13,15H2,1H3,(H,25,28).
What are the key properties of N-[2-[1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide?
N-[2-[1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide has a molecular weight of 400.50 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide is sourced from PubChem (CID 25296944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).