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

C18H29N5O2 — CID 51104585

IUPACN-(2-cyano-3-methylbutan-2-yl)-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetamide
SMILESCC(C)C(C)(C#N)NC(=O)CN1CCC(c2ccnn2CCO)CC1
InChIInChI=1S/C18H29N5O2/c1-14(2)18(3,13-19)21-17(25)12-22-8-5-15(6-9-22)16-4-7-20-23(16)10-11-24/h4,7,14-15,24H,5-6,8-12H2,1-3H3,(H,21,25)
InChIKeyNJCGVWKOANNHLK-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.11
Rot. Bonds7

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

N-(2-cyano-3-methylbutan-2-yl)-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetamide (PubChem CID 51104585) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-(2-cyano-3-methylbutan-2-yl)-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-cyano-3-methylbutan-2-yl)-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetamide
PubChem CID51104585
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC NameN-(2-cyano-3-methylbutan-2-yl)-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetamide
SMILESCC(C)C(C)(C#N)NC(=O)CN1CCC(c2ccnn2CCO)CC1
InChIInChI=1S/C18H29N5O2/c1-14(2)18(3,13-19)21-17(25)12-22-8-5-15(6-9-22)16-4-7-20-23(16)10-11-24/h4,7,14-15,24H,5-6,8-12H2,1-3H3,(H,21,25)
InChIKeyNJCGVWKOANNHLK-UHFFFAOYSA-N
XLogP1.11
TPSA94.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-3-methylbutan-2-yl)-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetamide?
The IUPAC name of N-(2-cyano-3-methylbutan-2-yl)-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetamide (CID 51104585) is N-(2-cyano-3-methylbutan-2-yl)-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-(2-cyano-3-methylbutan-2-yl)-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetamide?
The canonical SMILES for N-(2-cyano-3-methylbutan-2-yl)-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetamide is CC(C)C(C)(C#N)NC(=O)CN1CCC(c2ccnn2CCO)CC1.
What is the InChIKey of N-(2-cyano-3-methylbutan-2-yl)-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetamide?
The InChIKey is NJCGVWKOANNHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-14(2)18(3,13-19)21-17(25)12-22-8-5-15(6-9-22)16-4-7-20-23(16)10-11-24/h4,7,14-15,24H,5-6,8-12H2,1-3H3,(H,21,25).
What are the key properties of N-(2-cyano-3-methylbutan-2-yl)-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetamide?
N-(2-cyano-3-methylbutan-2-yl)-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetamide has a molecular weight of 347.46 g/mol, XLogP of 1.11, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-3-methylbutan-2-yl)-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetamide is sourced from PubChem (CID 51104585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).