N-(1-cyanocyclopentyl)-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetamide

C18H27N5O2 — CID 51104587

IUPACN-(1-cyanocyclopentyl)-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetamide
SMILESN#CC1(NC(=O)CN2CCC(c3ccnn3CCO)CC2)CCCC1
InChIInChI=1S/C18H27N5O2/c19-14-18(6-1-2-7-18)21-17(25)13-22-9-4-15(5-10-22)16-3-8-20-23(16)11-12-24/h3,8,15,24H,1-2,4-7,9-13H2,(H,21,25)
InChIKeyLPDUFUKBYWRHOI-UHFFFAOYSA-N
MW345.45 g/mol
LogP1.01
Rot. Bonds6

About N-(1-cyanocyclopentyl)-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetamide

N-(1-cyanocyclopentyl)-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetamide (PubChem CID 51104587) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is N-(1-cyanocyclopentyl)-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-cyanocyclopentyl)-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetamide
PubChem CID51104587
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC NameN-(1-cyanocyclopentyl)-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetamide
SMILESN#CC1(NC(=O)CN2CCC(c3ccnn3CCO)CC2)CCCC1
InChIInChI=1S/C18H27N5O2/c19-14-18(6-1-2-7-18)21-17(25)13-22-9-4-15(5-10-22)16-3-8-20-23(16)11-12-24/h3,8,15,24H,1-2,4-7,9-13H2,(H,21,25)
InChIKeyLPDUFUKBYWRHOI-UHFFFAOYSA-N
XLogP1.01
TPSA94.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopentyl)-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetamide?
The IUPAC name of N-(1-cyanocyclopentyl)-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetamide (CID 51104587) is N-(1-cyanocyclopentyl)-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-(1-cyanocyclopentyl)-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetamide?
The canonical SMILES for N-(1-cyanocyclopentyl)-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetamide is N#CC1(NC(=O)CN2CCC(c3ccnn3CCO)CC2)CCCC1.
What is the InChIKey of N-(1-cyanocyclopentyl)-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetamide?
The InChIKey is LPDUFUKBYWRHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c19-14-18(6-1-2-7-18)21-17(25)13-22-9-4-15(5-10-22)16-3-8-20-23(16)11-12-24/h3,8,15,24H,1-2,4-7,9-13H2,(H,21,25).
What are the key properties of N-(1-cyanocyclopentyl)-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetamide?
N-(1-cyanocyclopentyl)-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetamide has a molecular weight of 345.45 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopentyl)-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetamide is sourced from PubChem (CID 51104587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).