N-methyl-N-[2-[4-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]-2-pyrazol-1-ylpropanamide

C16H27N5O2 — CID 119546336

IUPACN-methyl-N-[2-[4-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]-2-pyrazol-1-ylpropanamide
SMILESCNCC1CCN(C(=O)CN(C)C(=O)C(C)n2cccn2)CC1
InChIInChI=1S/C16H27N5O2/c1-13(21-8-4-7-18-21)16(23)19(3)12-15(22)20-9-5-14(6-10-20)11-17-2/h4,7-8,13-14,17H,5-6,9-12H2,1-3H3
InChIKeyXATNTNVMQPLYSC-UHFFFAOYSA-N
MW321.42 g/mol
LogP0.36
Rot. Bonds6

About N-methyl-N-[2-[4-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]-2-pyrazol-1-ylpropanamide

N-methyl-N-[2-[4-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]-2-pyrazol-1-ylpropanamide (PubChem CID 119546336) has the molecular formula C16H27N5O2 and a molecular weight of 321.42 g/mol. Its IUPAC name is N-methyl-N-[2-[4-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]-2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-methyl-N-[2-[4-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]-2-pyrazol-1-ylpropanamide
PubChem CID119546336
Molecular FormulaC16H27N5O2
Molecular Weight321.42 g/mol
Exact Mass321.22
IUPAC NameN-methyl-N-[2-[4-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]-2-pyrazol-1-ylpropanamide
SMILESCNCC1CCN(C(=O)CN(C)C(=O)C(C)n2cccn2)CC1
InChIInChI=1S/C16H27N5O2/c1-13(21-8-4-7-18-21)16(23)19(3)12-15(22)20-9-5-14(6-10-20)11-17-2/h4,7-8,13-14,17H,5-6,9-12H2,1-3H3
InChIKeyXATNTNVMQPLYSC-UHFFFAOYSA-N
XLogP0.36
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dicyclopropylmethylamino)-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide
CID 87022204
N-methyl-N-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]-2-pyrazol-1-ylpropanamide;dihydrochloride
CID 119463887
1-[2-[methyl-(2-phenyl-2-pyrazol-1-ylacetyl)amino]acetyl]piperidine-4-carboxylic acid
CID 119236257
N-methyl-N-[2-[methyl(piperidin-4-yl)amino]-2-oxoethyl]-2-pyrazol-1-ylpropanamide
CID 119444051
3-[methyl(2-pyrazol-1-ylpropanoyl)amino]propanoic acid
CID 60988614
N-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide
CID 86822678
3,4-dimethyl-1-[4-(methylaminomethyl)piperidin-1-yl]pentan-1-one
CID 119546978
N-[2-[[2-(aminomethyl)cyclopentyl]amino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide
CID 119604552
2-(diethylamino)-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone;dihydrochloride
CID 119543010
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylethanone
CID 63263322
N-[2-(3-aminopropylamino)-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide
CID 119408371
1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylpropan-1-one
CID 113268931

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[4-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]-2-pyrazol-1-ylpropanamide?
The IUPAC name of N-methyl-N-[2-[4-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]-2-pyrazol-1-ylpropanamide (CID 119546336) is N-methyl-N-[2-[4-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-methyl-N-[2-[4-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]-2-pyrazol-1-ylpropanamide?
The canonical SMILES for N-methyl-N-[2-[4-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]-2-pyrazol-1-ylpropanamide is CNCC1CCN(C(=O)CN(C)C(=O)C(C)n2cccn2)CC1.
What is the InChIKey of N-methyl-N-[2-[4-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]-2-pyrazol-1-ylpropanamide?
The InChIKey is XATNTNVMQPLYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O2/c1-13(21-8-4-7-18-21)16(23)19(3)12-15(22)20-9-5-14(6-10-20)11-17-2/h4,7-8,13-14,17H,5-6,9-12H2,1-3H3.
What are the key properties of N-methyl-N-[2-[4-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]-2-pyrazol-1-ylpropanamide?
N-methyl-N-[2-[4-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]-2-pyrazol-1-ylpropanamide has a molecular weight of 321.42 g/mol, XLogP of 0.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[4-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 119546336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).