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

C19H32N4O2 — CID 51104602

IUPACN-(cyclohexylmethyl)-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(c2ccnn2CCO)CC1)NCC1CCCCC1
InChIInChI=1S/C19H32N4O2/c24-13-12-23-18(6-9-21-23)17-7-10-22(11-8-17)15-19(25)20-14-16-4-2-1-3-5-16/h6,9,16-17,24H,1-5,7-8,10-15H2,(H,20,25)
InChIKeyYQRYXMDTVGFHLT-UHFFFAOYSA-N
MW348.49 g/mol
LogP1.75
Rot. Bonds7

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

N-(cyclohexylmethyl)-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetamide (PubChem CID 51104602) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetamide
PubChem CID51104602
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC NameN-(cyclohexylmethyl)-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(c2ccnn2CCO)CC1)NCC1CCCCC1
InChIInChI=1S/C19H32N4O2/c24-13-12-23-18(6-9-21-23)17-7-10-22(11-8-17)15-19(25)20-14-16-4-2-1-3-5-16/h6,9,16-17,24H,1-5,7-8,10-15H2,(H,20,25)
InChIKeyYQRYXMDTVGFHLT-UHFFFAOYSA-N
XLogP1.75
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetamide?
The IUPAC name of N-(cyclohexylmethyl)-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetamide (CID 51104602) is N-(cyclohexylmethyl)-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetamide is O=C(CN1CCC(c2ccnn2CCO)CC1)NCC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetamide?
The InChIKey is YQRYXMDTVGFHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2/c24-13-12-23-18(6-9-21-23)17-7-10-22(11-8-17)15-19(25)20-14-16-4-2-1-3-5-16/h6,9,16-17,24H,1-5,7-8,10-15H2,(H,20,25).
What are the key properties of N-(cyclohexylmethyl)-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetamide?
N-(cyclohexylmethyl)-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetamide has a molecular weight of 348.49 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetamide is sourced from PubChem (CID 51104602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).