N-methyl-N-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]-2-pyrazol-1-ylpropanamide;dihydrochloride

C15H27Cl2N5O2 — CID 119463887

IUPACN-methyl-N-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]-2-pyrazol-1-ylpropanamide;dihydrochloride
SMILESCC(C(=O)N(C)CC(=O)NCC1CCCNC1)n1cccn1.Cl.Cl
InChIInChI=1S/C15H25N5O2.2ClH/c1-12(20-8-4-7-18-20)15(22)19(2)11-14(21)17-10-13-5-3-6-16-9-13;;/h4,7-8,12-13,16H,3,5-6,9-11H2,1-2H3,(H,17,21);2*1H
InChIKeyVLCCIHRQSYBHIJ-UHFFFAOYSA-N
MW380.32 g/mol
LogP0.86
Rot. Bonds6

About N-methyl-N-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]-2-pyrazol-1-ylpropanamide;dihydrochloride

N-methyl-N-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]-2-pyrazol-1-ylpropanamide;dihydrochloride (PubChem CID 119463887) has the molecular formula C15H27Cl2N5O2 and a molecular weight of 380.32 g/mol. Its IUPAC name is N-methyl-N-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]-2-pyrazol-1-ylpropanamide;dihydrochloride.

Molecular Properties

Compound NameN-methyl-N-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]-2-pyrazol-1-ylpropanamide;dihydrochloride
PubChem CID119463887
Molecular FormulaC15H27Cl2N5O2
Molecular Weight380.32 g/mol
Exact Mass379.15
IUPAC NameN-methyl-N-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]-2-pyrazol-1-ylpropanamide;dihydrochloride
SMILESCC(C(=O)N(C)CC(=O)NCC1CCCNC1)n1cccn1.Cl.Cl
InChIInChI=1S/C15H25N5O2.2ClH/c1-12(20-8-4-7-18-20)15(22)19(2)11-14(21)17-10-13-5-3-6-16-9-13;;/h4,7-8,12-13,16H,3,5-6,9-11H2,1-2H3,(H,17,21);2*1H
InChIKeyVLCCIHRQSYBHIJ-UHFFFAOYSA-N
XLogP0.86
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.32
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-piperidin-3-yl-2-pyrazol-1-ylpropanamide;dihydrochloride
CID 119424500
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N-(piperidin-3-ylmethyl)-3-pyrazol-1-ylpropanamide;dihydrochloride
CID 119461176
N-[2-(dicyclopropylmethylamino)-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide
CID 87022204
N-[2-[[2-(aminomethyl)cyclopentyl]amino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide
CID 119604552
2-(diethylamino)-N-(piperidin-3-ylmethyl)acetamide;dihydrochloride
CID 119460245
N-[2-[3-(aminomethyl)pentan-3-ylamino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide
CID 119571531
N-[2-[2-(4-aminophenyl)ethylamino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide;dihydrochloride
CID 119549384
2-methylsulfanyl-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119462298
2-ethyl-N-(piperidin-3-ylmethyl)butanamide;hydrochloride
CID 119462909
2-amino-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 131134455
N-methyl-N-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]-2-pyrazol-1-ylpropanamide;dihydrochloride
CID 120880497

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]-2-pyrazol-1-ylpropanamide;dihydrochloride?
The IUPAC name of N-methyl-N-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]-2-pyrazol-1-ylpropanamide;dihydrochloride (CID 119463887) is N-methyl-N-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]-2-pyrazol-1-ylpropanamide;dihydrochloride.
What is the SMILES notation for N-methyl-N-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]-2-pyrazol-1-ylpropanamide;dihydrochloride?
The canonical SMILES for N-methyl-N-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]-2-pyrazol-1-ylpropanamide;dihydrochloride is CC(C(=O)N(C)CC(=O)NCC1CCCNC1)n1cccn1.Cl.Cl.
What is the InChIKey of N-methyl-N-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]-2-pyrazol-1-ylpropanamide;dihydrochloride?
The InChIKey is VLCCIHRQSYBHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2.2ClH/c1-12(20-8-4-7-18-20)15(22)19(2)11-14(21)17-10-13-5-3-6-16-9-13;;/h4,7-8,12-13,16H,3,5-6,9-11H2,1-2H3,(H,17,21);2*1H.
What are the key properties of N-methyl-N-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]-2-pyrazol-1-ylpropanamide;dihydrochloride?
N-methyl-N-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]-2-pyrazol-1-ylpropanamide;dihydrochloride has a molecular weight of 380.32 g/mol, XLogP of 0.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]-2-pyrazol-1-ylpropanamide;dihydrochloride is sourced from PubChem (CID 119463887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).