N-[1-methyl-3-(oxan-4-yl)pyrazol-5-yl]-2-(piperidin-4-ylmethyl)benzamide

C22H30N4O2 — CID 138057271

IUPACN-[1-methyl-3-(oxan-4-yl)pyrazol-5-yl]-2-(piperidin-4-ylmethyl)benzamide
SMILESCn1nc(C2CCOCC2)cc1NC(=O)c1ccccc1CC1CCNCC1
InChIInChI=1S/C22H30N4O2/c1-26-21(15-20(25-26)17-8-12-28-13-9-17)24-22(27)19-5-3-2-4-18(19)14-16-6-10-23-11-7-16/h2-5,15-17,23H,6-14H2,1H3,(H,24,27)
InChIKeyGIUFXLXBWFKXKA-UHFFFAOYSA-N
MW382.51 g/mol
LogP3.11
Rot. Bonds5

About N-[1-methyl-3-(oxan-4-yl)pyrazol-5-yl]-2-(piperidin-4-ylmethyl)benzamide

N-[1-methyl-3-(oxan-4-yl)pyrazol-5-yl]-2-(piperidin-4-ylmethyl)benzamide (PubChem CID 138057271) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is N-[1-methyl-3-(oxan-4-yl)pyrazol-5-yl]-2-(piperidin-4-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[1-methyl-3-(oxan-4-yl)pyrazol-5-yl]-2-(piperidin-4-ylmethyl)benzamide
PubChem CID138057271
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC NameN-[1-methyl-3-(oxan-4-yl)pyrazol-5-yl]-2-(piperidin-4-ylmethyl)benzamide
SMILESCn1nc(C2CCOCC2)cc1NC(=O)c1ccccc1CC1CCNCC1
InChIInChI=1S/C22H30N4O2/c1-26-21(15-20(25-26)17-8-12-28-13-9-17)24-22(27)19-5-3-2-4-18(19)14-16-6-10-23-11-7-16/h2-5,15-17,23H,6-14H2,1H3,(H,24,27)
InChIKeyGIUFXLXBWFKXKA-UHFFFAOYSA-N
XLogP3.11
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-methyl-3-(oxan-4-yl)pyrazol-5-yl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 167807743
N-(3-cyclohexyl-1-methylpyrazol-5-yl)piperidine-4-carboxamide
CID 119337707
1-ethyl-N-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]indole-3-carboxamide
CID 136538449
N-(3-cyclopentyl-1-methylpyrazol-5-yl)-2-phenylacetamide
CID 134799695
N-(3-cyclopentyl-1-methylpyrazol-5-yl)-2-methylpropanamide
CID 91529109
N-(3-cyclopentyl-1-methylpyrazol-5-yl)-4-fluorobenzamide
CID 134798522
(3-cyclopropyl-1-methylpyrazol-5-yl)carbamic acid
CID 69157729
1-methyl-3-(oxan-4-yl)pyrazole-5-carboxylic acid
CID 83702839
N-(3-cyclohexyl-1-methylpyrazol-5-yl)-4-oxo-1H-cinnoline-3-carboxamide
CID 126785760
N-[(2,5-difluorophenyl)methyl]-2-(piperidin-4-ylmethyl)benzamide
CID 166209181
3-(2-aminophenyl)-N-(3-cyclohexyl-1-methylpyrazol-5-yl)propanamide
CID 120611478
N-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-methoxybenzamide
CID 134797678

Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-3-(oxan-4-yl)pyrazol-5-yl]-2-(piperidin-4-ylmethyl)benzamide?
The IUPAC name of N-[1-methyl-3-(oxan-4-yl)pyrazol-5-yl]-2-(piperidin-4-ylmethyl)benzamide (CID 138057271) is N-[1-methyl-3-(oxan-4-yl)pyrazol-5-yl]-2-(piperidin-4-ylmethyl)benzamide.
What is the SMILES notation for N-[1-methyl-3-(oxan-4-yl)pyrazol-5-yl]-2-(piperidin-4-ylmethyl)benzamide?
The canonical SMILES for N-[1-methyl-3-(oxan-4-yl)pyrazol-5-yl]-2-(piperidin-4-ylmethyl)benzamide is Cn1nc(C2CCOCC2)cc1NC(=O)c1ccccc1CC1CCNCC1.
What is the InChIKey of N-[1-methyl-3-(oxan-4-yl)pyrazol-5-yl]-2-(piperidin-4-ylmethyl)benzamide?
The InChIKey is GIUFXLXBWFKXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-26-21(15-20(25-26)17-8-12-28-13-9-17)24-22(27)19-5-3-2-4-18(19)14-16-6-10-23-11-7-16/h2-5,15-17,23H,6-14H2,1H3,(H,24,27).
What are the key properties of N-[1-methyl-3-(oxan-4-yl)pyrazol-5-yl]-2-(piperidin-4-ylmethyl)benzamide?
N-[1-methyl-3-(oxan-4-yl)pyrazol-5-yl]-2-(piperidin-4-ylmethyl)benzamide has a molecular weight of 382.51 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-3-(oxan-4-yl)pyrazol-5-yl]-2-(piperidin-4-ylmethyl)benzamide is sourced from PubChem (CID 138057271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).