N-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]-2-(oxan-3-yl)acetamide

C16H26N4O2 — CID 134702651

IUPACN-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]-2-(oxan-3-yl)acetamide
SMILESCN1CCC(n2nccc2NC(=O)CC2CCCOC2)CC1
InChIInChI=1S/C16H26N4O2/c1-19-8-5-14(6-9-19)20-15(4-7-17-20)18-16(21)11-13-3-2-10-22-12-13/h4,7,13-14H,2-3,5-6,8-12H2,1H3,(H,18,21)
InChIKeyXXFKGWCDIWZLDX-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.90
Rot. Bonds4

About N-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]-2-(oxan-3-yl)acetamide

N-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]-2-(oxan-3-yl)acetamide (PubChem CID 134702651) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]-2-(oxan-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]-2-(oxan-3-yl)acetamide
PubChem CID134702651
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC NameN-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]-2-(oxan-3-yl)acetamide
SMILESCN1CCC(n2nccc2NC(=O)CC2CCCOC2)CC1
InChIInChI=1S/C16H26N4O2/c1-19-8-5-14(6-9-19)20-15(4-7-17-20)18-16(21)11-13-3-2-10-22-12-13/h4,7,13-14H,2-3,5-6,8-12H2,1H3,(H,18,21)
InChIKeyXXFKGWCDIWZLDX-UHFFFAOYSA-N
XLogP1.90
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,5-dimethylpyrazol-4-yl)-2-(oxan-3-yl)acetamide
CID 134702628
2-chloro-N-(2-cyclobutylpyrazol-3-yl)acetamide
CID 166407634
N-[2-[1-(cyclobutylmethyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
CID 56746743
2,2-dimethyl-N-[2-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]pyrazol-3-yl]propanamide
CID 56740401
(2S)-1-(cyclopropanecarbonyl)-N-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]pyrrolidine-2-carboxamide
CID 134696692
(3R)-N-[2-[1-(3-methylbutyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
CID 42383376
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(oxan-3-yl)acetamide
CID 110862281
2-methoxy-N-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]benzamide
CID 24817787
N-(2,6-difluorophenyl)-2-(oxan-3-yl)acetamide
CID 110865266
2-cyano-N-(2-cyclopentylpyrazol-3-yl)acetamide
CID 110470108
N-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]-5,6,7,8-tetrahydroquinoline-3-carboxamide
CID 134709113
1-(2-methyl-1,3-dihydroinden-2-yl)-3-[2-(oxan-3-yl)pyrazol-3-yl]urea
CID 136564529

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]-2-(oxan-3-yl)acetamide?
The IUPAC name of N-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]-2-(oxan-3-yl)acetamide (CID 134702651) is N-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]-2-(oxan-3-yl)acetamide.
What is the SMILES notation for N-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]-2-(oxan-3-yl)acetamide?
The canonical SMILES for N-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]-2-(oxan-3-yl)acetamide is CN1CCC(n2nccc2NC(=O)CC2CCCOC2)CC1.
What is the InChIKey of N-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]-2-(oxan-3-yl)acetamide?
The InChIKey is XXFKGWCDIWZLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-19-8-5-14(6-9-19)20-15(4-7-17-20)18-16(21)11-13-3-2-10-22-12-13/h4,7,13-14H,2-3,5-6,8-12H2,1H3,(H,18,21).
What are the key properties of N-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]-2-(oxan-3-yl)acetamide?
N-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]-2-(oxan-3-yl)acetamide has a molecular weight of 306.41 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]-2-(oxan-3-yl)acetamide is sourced from PubChem (CID 134702651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).