N-piperidin-4-yl-N-propyl-4-pyrazol-1-ylbenzamide;hydrochloride

C18H25ClN4O — CID 119824042

IUPACN-piperidin-4-yl-N-propyl-4-pyrazol-1-ylbenzamide;hydrochloride
SMILESCCCN(C(=O)c1ccc(-n2cccn2)cc1)C1CCNCC1.Cl
InChIInChI=1S/C18H24N4O.ClH/c1-2-13-21(16-8-11-19-12-9-16)18(23)15-4-6-17(7-5-15)22-14-3-10-20-22;/h3-7,10,14,16,19H,2,8-9,11-13H2,1H3;1H
InChIKeyVIPMSTVSNHZOEJ-UHFFFAOYSA-N
MW348.88 g/mol
LogP2.90
Rot. Bonds5

About N-piperidin-4-yl-N-propyl-4-pyrazol-1-ylbenzamide;hydrochloride

N-piperidin-4-yl-N-propyl-4-pyrazol-1-ylbenzamide;hydrochloride (PubChem CID 119824042) has the molecular formula C18H25ClN4O and a molecular weight of 348.88 g/mol. Its IUPAC name is N-piperidin-4-yl-N-propyl-4-pyrazol-1-ylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-piperidin-4-yl-N-propyl-4-pyrazol-1-ylbenzamide;hydrochloride
PubChem CID119824042
Molecular FormulaC18H25ClN4O
Molecular Weight348.88 g/mol
Exact Mass348.17
IUPAC NameN-piperidin-4-yl-N-propyl-4-pyrazol-1-ylbenzamide;hydrochloride
SMILESCCCN(C(=O)c1ccc(-n2cccn2)cc1)C1CCNCC1.Cl
InChIInChI=1S/C18H24N4O.ClH/c1-2-13-21(16-8-11-19-12-9-16)18(23)15-4-6-17(7-5-15)22-14-3-10-20-22;/h3-7,10,14,16,19H,2,8-9,11-13H2,1H3;1H
InChIKeyVIPMSTVSNHZOEJ-UHFFFAOYSA-N
XLogP2.90
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.88
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-piperidin-4-yl-4-pyrazol-1-ylbenzamide;hydrochloride
CID 68723933
N-(1,1-dioxothiolan-3-yl)-N-propyl-4-pyrazol-1-ylbenzamide
CID 78798903
N-piperidin-4-yl-N-propylpyridine-4-carboxamide
CID 54923494
4-ethyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119823008
4-iodo-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119822992
1-(4-chlorophenyl)-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide
CID 119825391
N-piperidin-4-yl-N-propyl-3-(1,2,4-triazol-1-yl)benzamide;dihydrochloride
CID 119825937
4-cyclohexyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119823082
N-benzyl-N-cyclopropyl-4-pyrazol-1-ylbenzamide
CID 38270812
4-(phenylcarbamoylamino)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119824537
4-(difluoromethylsulfanyl)-N-piperidin-4-yl-N-propylbenzamide
CID 119824836
1-benzyl-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide;hydrochloride
CID 91645692

Frequently Asked Questions

What is the IUPAC name of N-piperidin-4-yl-N-propyl-4-pyrazol-1-ylbenzamide;hydrochloride?
The IUPAC name of N-piperidin-4-yl-N-propyl-4-pyrazol-1-ylbenzamide;hydrochloride (CID 119824042) is N-piperidin-4-yl-N-propyl-4-pyrazol-1-ylbenzamide;hydrochloride.
What is the SMILES notation for N-piperidin-4-yl-N-propyl-4-pyrazol-1-ylbenzamide;hydrochloride?
The canonical SMILES for N-piperidin-4-yl-N-propyl-4-pyrazol-1-ylbenzamide;hydrochloride is CCCN(C(=O)c1ccc(-n2cccn2)cc1)C1CCNCC1.Cl.
What is the InChIKey of N-piperidin-4-yl-N-propyl-4-pyrazol-1-ylbenzamide;hydrochloride?
The InChIKey is VIPMSTVSNHZOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O.ClH/c1-2-13-21(16-8-11-19-12-9-16)18(23)15-4-6-17(7-5-15)22-14-3-10-20-22;/h3-7,10,14,16,19H,2,8-9,11-13H2,1H3;1H.
What are the key properties of N-piperidin-4-yl-N-propyl-4-pyrazol-1-ylbenzamide;hydrochloride?
N-piperidin-4-yl-N-propyl-4-pyrazol-1-ylbenzamide;hydrochloride has a molecular weight of 348.88 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-yl-N-propyl-4-pyrazol-1-ylbenzamide;hydrochloride is sourced from PubChem (CID 119824042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).