N-(piperidin-3-ylmethyl)-3-pyrazol-1-ylpropanamide;dihydrochloride

C12H22Cl2N4O — CID 119461176

IUPACN-(piperidin-3-ylmethyl)-3-pyrazol-1-ylpropanamide;dihydrochloride
SMILESCl.Cl.O=C(CCn1cccn1)NCC1CCCNC1
InChIInChI=1S/C12H20N4O.2ClH/c17-12(4-8-16-7-2-6-15-16)14-10-11-3-1-5-13-9-11;;/h2,6-7,11,13H,1,3-5,8-10H2,(H,14,17);2*1H
InChIKeyYKOQCCVJXJKJJW-UHFFFAOYSA-N
MW309.24 g/mol
LogP1.23
Rot. Bonds5

About N-(piperidin-3-ylmethyl)-3-pyrazol-1-ylpropanamide;dihydrochloride

N-(piperidin-3-ylmethyl)-3-pyrazol-1-ylpropanamide;dihydrochloride (PubChem CID 119461176) has the molecular formula C12H22Cl2N4O and a molecular weight of 309.24 g/mol. Its IUPAC name is N-(piperidin-3-ylmethyl)-3-pyrazol-1-ylpropanamide;dihydrochloride.

Molecular Properties

Compound NameN-(piperidin-3-ylmethyl)-3-pyrazol-1-ylpropanamide;dihydrochloride
PubChem CID119461176
Molecular FormulaC12H22Cl2N4O
Molecular Weight309.24 g/mol
Exact Mass308.12
IUPAC NameN-(piperidin-3-ylmethyl)-3-pyrazol-1-ylpropanamide;dihydrochloride
SMILESCl.Cl.O=C(CCn1cccn1)NCC1CCCNC1
InChIInChI=1S/C12H20N4O.2ClH/c17-12(4-8-16-7-2-6-15-16)14-10-11-3-1-5-13-9-11;;/h2,6-7,11,13H,1,3-5,8-10H2,(H,14,17);2*1H
InChIKeyYKOQCCVJXJKJJW-UHFFFAOYSA-N
XLogP1.23
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.24
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(piperidin-3-ylmethyl)-N-propan-2-yl-3-pyrazol-1-ylpropanamide
CID 106629180
N-(piperidin-3-ylmethyl)-2-(tetrazol-1-yl)acetamide;hydrochloride
CID 119260132
N-(piperidin-3-ylmethyl)-4-pyrazol-1-ylbenzamide
CID 119461275
N'-(piperidin-3-ylmethyl)-N-propylbutanediamide;hydrochloride
CID 119463444
N-methyl-N-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]-2-pyrazol-1-ylpropanamide;dihydrochloride
CID 119463887
2-methylsulfanyl-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119462298
N'-(piperidin-3-ylmethyl)-N-propylbutanediamide
CID 119463445
3-pyrazol-1-yl-N-(1-pyrrolidin-3-ylethyl)propanamide
CID 103977172
2-phenyl-N-[[(3R)-piperidin-3-yl]methyl]acetamide;hydrochloride
CID 166436266
3-(4-oxoquinazolin-3-yl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 119462556
3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 119462022
N-[(1-propylsulfonylpiperidin-4-yl)methyl]-3-pyrazol-1-ylpropanamide
CID 131890431

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-3-ylmethyl)-3-pyrazol-1-ylpropanamide;dihydrochloride?
The IUPAC name of N-(piperidin-3-ylmethyl)-3-pyrazol-1-ylpropanamide;dihydrochloride (CID 119461176) is N-(piperidin-3-ylmethyl)-3-pyrazol-1-ylpropanamide;dihydrochloride.
What is the SMILES notation for N-(piperidin-3-ylmethyl)-3-pyrazol-1-ylpropanamide;dihydrochloride?
The canonical SMILES for N-(piperidin-3-ylmethyl)-3-pyrazol-1-ylpropanamide;dihydrochloride is Cl.Cl.O=C(CCn1cccn1)NCC1CCCNC1.
What is the InChIKey of N-(piperidin-3-ylmethyl)-3-pyrazol-1-ylpropanamide;dihydrochloride?
The InChIKey is YKOQCCVJXJKJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O.2ClH/c17-12(4-8-16-7-2-6-15-16)14-10-11-3-1-5-13-9-11;;/h2,6-7,11,13H,1,3-5,8-10H2,(H,14,17);2*1H.
What are the key properties of N-(piperidin-3-ylmethyl)-3-pyrazol-1-ylpropanamide;dihydrochloride?
N-(piperidin-3-ylmethyl)-3-pyrazol-1-ylpropanamide;dihydrochloride has a molecular weight of 309.24 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-3-ylmethyl)-3-pyrazol-1-ylpropanamide;dihydrochloride is sourced from PubChem (CID 119461176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).