2-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide

C16H26N4O2 — CID 91829229

IUPAC2-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1cn[nH]c1C1CCN(CC(=O)NCC2CCCO2)CC1
InChIInChI=1S/C16H26N4O2/c1-12-9-18-19-16(12)13-4-6-20(7-5-13)11-15(21)17-10-14-3-2-8-22-14/h9,13-14H,2-8,10-11H2,1H3,(H,17,21)(H,18,19)
InChIKeyPXJYWMSBTDPEAD-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.19
Rot. Bonds5

About 2-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide

2-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 91829229) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID91829229
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name2-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1cn[nH]c1C1CCN(CC(=O)NCC2CCCO2)CC1
InChIInChI=1S/C16H26N4O2/c1-12-9-18-19-16(12)13-4-6-20(7-5-13)11-15(21)17-10-14-3-2-8-22-14/h9,13-14H,2-8,10-11H2,1H3,(H,17,21)(H,18,19)
InChIKeyPXJYWMSBTDPEAD-UHFFFAOYSA-N
XLogP1.19
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide (CID 91829229) is 2-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide is Cc1cn[nH]c1C1CCN(CC(=O)NCC2CCCO2)CC1.
What is the InChIKey of 2-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is PXJYWMSBTDPEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-12-9-18-19-16(12)13-4-6-20(7-5-13)11-15(21)17-10-14-3-2-8-22-14/h9,13-14H,2-8,10-11H2,1H3,(H,17,21)(H,18,19).
What are the key properties of 2-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
2-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 306.41 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 91829229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).