2-[methyl-(1-methylpiperidin-4-yl)amino]-N-(4-pyrazol-1-ylbutan-2-yl)acetamide

C16H29N5O — CID 91768318

IUPAC2-[methyl-(1-methylpiperidin-4-yl)amino]-N-(4-pyrazol-1-ylbutan-2-yl)acetamide
SMILESCC(CCn1cccn1)NC(=O)CN(C)C1CCN(C)CC1
InChIInChI=1S/C16H29N5O/c1-14(5-12-21-9-4-8-17-21)18-16(22)13-20(3)15-6-10-19(2)11-7-15/h4,8-9,14-15H,5-7,10-13H2,1-3H3,(H,18,22)
InChIKeyJJJAQZIOVDUUIL-UHFFFAOYSA-N
MW307.44 g/mol
LogP0.80
Rot. Bonds7

About 2-[methyl-(1-methylpiperidin-4-yl)amino]-N-(4-pyrazol-1-ylbutan-2-yl)acetamide

2-[methyl-(1-methylpiperidin-4-yl)amino]-N-(4-pyrazol-1-ylbutan-2-yl)acetamide (PubChem CID 91768318) has the molecular formula C16H29N5O and a molecular weight of 307.44 g/mol. Its IUPAC name is 2-[methyl-(1-methylpiperidin-4-yl)amino]-N-(4-pyrazol-1-ylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[methyl-(1-methylpiperidin-4-yl)amino]-N-(4-pyrazol-1-ylbutan-2-yl)acetamide
PubChem CID91768318
Molecular FormulaC16H29N5O
Molecular Weight307.44 g/mol
Exact Mass307.24
IUPAC Name2-[methyl-(1-methylpiperidin-4-yl)amino]-N-(4-pyrazol-1-ylbutan-2-yl)acetamide
SMILESCC(CCn1cccn1)NC(=O)CN(C)C1CCN(C)CC1
InChIInChI=1S/C16H29N5O/c1-14(5-12-21-9-4-8-17-21)18-16(22)13-20(3)15-6-10-19(2)11-7-15/h4,8-9,14-15H,5-7,10-13H2,1-3H3,(H,18,22)
InChIKeyJJJAQZIOVDUUIL-UHFFFAOYSA-N
XLogP0.80
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methyl-N-methylsulfonylanilino)-N-(4-pyrazol-1-ylbutan-2-yl)acetamide
CID 91792054
N-(4-pyrazol-1-ylbutan-2-yl)cyclohexanamine
CID 86784746
N-[(2R)-4-pyrazol-1-ylbutan-2-yl]-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide
CID 126435475
N-butan-2-yl-2-[methyl-(4-oxocyclohexyl)amino]acetamide
CID 79120506
N-methyl-2-(4-pyrazol-1-ylbutan-2-ylamino)acetamide
CID 115977436
1-(2-methoxyethyl)-1-methyl-3-[(2R)-4-pyrazol-1-ylbutan-2-yl]urea
CID 126453238
N-(1-adamantyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]acetamide
CID 3948880
2-methyl-6-(3-pyrazol-1-ylpropanoylamino)heptanoic acid
CID 65285915
1-[3-(4-methylpiperazine-1-carbonyl)phenyl]-3-[(2R)-4-pyrazol-1-ylbutan-2-yl]urea
CID 97443912
5-(3-pyrazol-1-ylpropanoylamino)hexanoic acid
CID 82854624
3-methyl-N-(1-pyrazol-1-ylpropan-2-yl)piperidine-1-carboxamide
CID 115583842
N-(2-hydroxyethyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]acetamide
CID 43509628

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(1-methylpiperidin-4-yl)amino]-N-(4-pyrazol-1-ylbutan-2-yl)acetamide?
The IUPAC name of 2-[methyl-(1-methylpiperidin-4-yl)amino]-N-(4-pyrazol-1-ylbutan-2-yl)acetamide (CID 91768318) is 2-[methyl-(1-methylpiperidin-4-yl)amino]-N-(4-pyrazol-1-ylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[methyl-(1-methylpiperidin-4-yl)amino]-N-(4-pyrazol-1-ylbutan-2-yl)acetamide?
The canonical SMILES for 2-[methyl-(1-methylpiperidin-4-yl)amino]-N-(4-pyrazol-1-ylbutan-2-yl)acetamide is CC(CCn1cccn1)NC(=O)CN(C)C1CCN(C)CC1.
What is the InChIKey of 2-[methyl-(1-methylpiperidin-4-yl)amino]-N-(4-pyrazol-1-ylbutan-2-yl)acetamide?
The InChIKey is JJJAQZIOVDUUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5O/c1-14(5-12-21-9-4-8-17-21)18-16(22)13-20(3)15-6-10-19(2)11-7-15/h4,8-9,14-15H,5-7,10-13H2,1-3H3,(H,18,22).
What are the key properties of 2-[methyl-(1-methylpiperidin-4-yl)amino]-N-(4-pyrazol-1-ylbutan-2-yl)acetamide?
2-[methyl-(1-methylpiperidin-4-yl)amino]-N-(4-pyrazol-1-ylbutan-2-yl)acetamide has a molecular weight of 307.44 g/mol, XLogP of 0.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(1-methylpiperidin-4-yl)amino]-N-(4-pyrazol-1-ylbutan-2-yl)acetamide is sourced from PubChem (CID 91768318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).