2-[cyclopropyl(methyl)amino]-1-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone

C15H24N4O — CID 56780164

IUPAC2-[cyclopropyl(methyl)amino]-1-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
SMILESCN(CC(=O)N1CCCCC1Cn1cccn1)C1CC1
InChIInChI=1S/C15H24N4O/c1-17(13-6-7-13)12-15(20)19-10-3-2-5-14(19)11-18-9-4-8-16-18/h4,8-9,13-14H,2-3,5-7,10-12H2,1H3
InChIKeyKCMCYDCYXOHZES-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.36
Rot. Bonds5

About 2-[cyclopropyl(methyl)amino]-1-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone

2-[cyclopropyl(methyl)amino]-1-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone (PubChem CID 56780164) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[cyclopropyl(methyl)amino]-1-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[cyclopropyl(methyl)amino]-1-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
PubChem CID56780164
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name2-[cyclopropyl(methyl)amino]-1-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
SMILESCN(CC(=O)N1CCCCC1Cn1cccn1)C1CC1
InChIInChI=1S/C15H24N4O/c1-17(13-6-7-13)12-15(20)19-10-3-2-5-14(19)11-18-9-4-8-16-18/h4,8-9,13-14H,2-3,5-7,10-12H2,1H3
InChIKeyKCMCYDCYXOHZES-UHFFFAOYSA-N
XLogP1.36
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(methyl)amino]-1-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-[cyclopropyl(methyl)amino]-1-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone (CID 56780164) is 2-[cyclopropyl(methyl)amino]-1-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-[cyclopropyl(methyl)amino]-1-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-[cyclopropyl(methyl)amino]-1-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone is CN(CC(=O)N1CCCCC1Cn1cccn1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(methyl)amino]-1-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone?
The InChIKey is KCMCYDCYXOHZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-17(13-6-7-13)12-15(20)19-10-3-2-5-14(19)11-18-9-4-8-16-18/h4,8-9,13-14H,2-3,5-7,10-12H2,1H3.
What are the key properties of 2-[cyclopropyl(methyl)amino]-1-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone?
2-[cyclopropyl(methyl)amino]-1-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone has a molecular weight of 276.38 g/mol, XLogP of 1.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(methyl)amino]-1-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 56780164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).