N-(piperidin-3-ylmethyl)-4-pyrazol-1-ylbenzamide

C16H20N4O — CID 119461275

IUPACN-(piperidin-3-ylmethyl)-4-pyrazol-1-ylbenzamide
SMILESO=C(NCC1CCCNC1)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C16H20N4O/c21-16(18-12-13-3-1-8-17-11-13)14-4-6-15(7-5-14)20-10-2-9-19-20/h2,4-7,9-10,13,17H,1,3,8,11-12H2,(H,18,21)
InChIKeyBTOIJYWDFKAYCR-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.60
Rot. Bonds4

About N-(piperidin-3-ylmethyl)-4-pyrazol-1-ylbenzamide

N-(piperidin-3-ylmethyl)-4-pyrazol-1-ylbenzamide (PubChem CID 119461275) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-(piperidin-3-ylmethyl)-4-pyrazol-1-ylbenzamide.

Molecular Properties

Compound NameN-(piperidin-3-ylmethyl)-4-pyrazol-1-ylbenzamide
PubChem CID119461275
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-(piperidin-3-ylmethyl)-4-pyrazol-1-ylbenzamide
SMILESO=C(NCC1CCCNC1)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C16H20N4O/c21-16(18-12-13-3-1-8-17-11-13)14-4-6-15(7-5-14)20-10-2-9-19-20/h2,4-7,9-10,13,17H,1,3,8,11-12H2,(H,18,21)
InChIKeyBTOIJYWDFKAYCR-UHFFFAOYSA-N
XLogP1.60
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-pyrazol-1-yl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534837
N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119461032
4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462898
N-(piperidin-3-ylmethyl)-4-(trifluoromethyl)benzamide
CID 24701631
1-phenyl-N-(piperidin-3-ylmethyl)triazole-4-carboxamide
CID 119461356
4-(dimethylamino)-N-(piperidin-3-ylmethyl)benzamide
CID 43329219
4-(phenylcarbamoylamino)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462020
N-(piperidin-3-ylmethyl)quinoline-6-carboxamide
CID 62874382
N-(piperidin-3-ylmethyl)-4-pyridin-3-yloxybenzamide;dihydrochloride
CID 119460334
N-methyl-N-piperidin-3-yl-4-pyrazol-1-ylbenzamide
CID 175264909
N-(piperidin-3-ylmethyl)-3-pyrazol-1-ylpropanamide;dihydrochloride
CID 119461176
4-N,4-N-diethyl-1-N-(piperidin-3-ylmethyl)benzene-1,4-dicarboxamide;hydrochloride
CID 119463375

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-3-ylmethyl)-4-pyrazol-1-ylbenzamide?
The IUPAC name of N-(piperidin-3-ylmethyl)-4-pyrazol-1-ylbenzamide (CID 119461275) is N-(piperidin-3-ylmethyl)-4-pyrazol-1-ylbenzamide.
What is the SMILES notation for N-(piperidin-3-ylmethyl)-4-pyrazol-1-ylbenzamide?
The canonical SMILES for N-(piperidin-3-ylmethyl)-4-pyrazol-1-ylbenzamide is O=C(NCC1CCCNC1)c1ccc(-n2cccn2)cc1.
What is the InChIKey of N-(piperidin-3-ylmethyl)-4-pyrazol-1-ylbenzamide?
The InChIKey is BTOIJYWDFKAYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c21-16(18-12-13-3-1-8-17-11-13)14-4-6-15(7-5-14)20-10-2-9-19-20/h2,4-7,9-10,13,17H,1,3,8,11-12H2,(H,18,21).
What are the key properties of N-(piperidin-3-ylmethyl)-4-pyrazol-1-ylbenzamide?
N-(piperidin-3-ylmethyl)-4-pyrazol-1-ylbenzamide has a molecular weight of 284.36 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-3-ylmethyl)-4-pyrazol-1-ylbenzamide is sourced from PubChem (CID 119461275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).