3-(1-methylpyrazol-4-yl)-N-piperidin-3-ylpropanamide;dihydrochloride

C12H22Cl2N4O — CID 119427806

IUPAC3-(1-methylpyrazol-4-yl)-N-piperidin-3-ylpropanamide;dihydrochloride
SMILESCl.Cl.Cn1cc(CCC(=O)NC2CCCNC2)cn1
InChIInChI=1S/C12H20N4O.2ClH/c1-16-9-10(7-14-16)4-5-12(17)15-11-3-2-6-13-8-11;;/h7,9,11,13H,2-6,8H2,1H3,(H,15,17);2*1H
InChIKeyNMNLYGCJRQCGGY-UHFFFAOYSA-N
MW309.24 g/mol
LogP1.06
Rot. Bonds4

About 3-(1-methylpyrazol-4-yl)-N-piperidin-3-ylpropanamide;dihydrochloride

3-(1-methylpyrazol-4-yl)-N-piperidin-3-ylpropanamide;dihydrochloride (PubChem CID 119427806) has the molecular formula C12H22Cl2N4O and a molecular weight of 309.24 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-N-piperidin-3-ylpropanamide;dihydrochloride.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-N-piperidin-3-ylpropanamide;dihydrochloride
PubChem CID119427806
Molecular FormulaC12H22Cl2N4O
Molecular Weight309.24 g/mol
Exact Mass308.12
IUPAC Name3-(1-methylpyrazol-4-yl)-N-piperidin-3-ylpropanamide;dihydrochloride
SMILESCl.Cl.Cn1cc(CCC(=O)NC2CCCNC2)cn1
InChIInChI=1S/C12H20N4O.2ClH/c1-16-9-10(7-14-16)4-5-12(17)15-11-3-2-6-13-8-11;;/h7,9,11,13H,2-6,8H2,1H3,(H,15,17);2*1H
InChIKeyNMNLYGCJRQCGGY-UHFFFAOYSA-N
XLogP1.06
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.24
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-methylpyrazol-4-yl)-N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]propanamide
CID 124590228
3-(3,5-dimethoxyphenyl)-N-piperidin-3-ylpropanamide;hydrochloride
CID 119425554
3-(1-methylpyrazol-4-yl)-1-pyrrolidin-3-ylpropan-1-one
CID 103023696
3-(1-methylpyrazol-4-yl)-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119513351
N-piperidin-3-yl-3-(3,4,5-trimethoxyphenyl)propanamide;hydrochloride
CID 119425485
N-piperidin-3-yl-3-(4-propoxyphenyl)propanamide;hydrochloride
CID 119427303
3-(1-methylpyrazol-4-yl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)propanamide;hydrochloride
CID 120998386
3-(3-methoxyphenyl)-N-piperidin-3-ylpropanamide;hydrochloride
CID 119428341
1-[(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-3-(1-methylpyrazol-4-yl)propan-1-one
CID 74237642
N-[(1S,3R)-3-(4-fluorophenyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 124726107
3-(1-methylpyrazol-4-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide;dihydrochloride
CID 119532209
3-[4-(cyclopropylsulfamoyl)phenyl]-N-piperidin-3-ylpropanamide;hydrochloride
CID 119424393

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-N-piperidin-3-ylpropanamide;dihydrochloride?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-N-piperidin-3-ylpropanamide;dihydrochloride (CID 119427806) is 3-(1-methylpyrazol-4-yl)-N-piperidin-3-ylpropanamide;dihydrochloride.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-N-piperidin-3-ylpropanamide;dihydrochloride?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-N-piperidin-3-ylpropanamide;dihydrochloride is Cl.Cl.Cn1cc(CCC(=O)NC2CCCNC2)cn1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-N-piperidin-3-ylpropanamide;dihydrochloride?
The InChIKey is NMNLYGCJRQCGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O.2ClH/c1-16-9-10(7-14-16)4-5-12(17)15-11-3-2-6-13-8-11;;/h7,9,11,13H,2-6,8H2,1H3,(H,15,17);2*1H.
What are the key properties of 3-(1-methylpyrazol-4-yl)-N-piperidin-3-ylpropanamide;dihydrochloride?
3-(1-methylpyrazol-4-yl)-N-piperidin-3-ylpropanamide;dihydrochloride has a molecular weight of 309.24 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)-N-piperidin-3-ylpropanamide;dihydrochloride is sourced from PubChem (CID 119427806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).