N-[3-(4-methylpiperidin-1-yl)propyl]-4-(5-methylpyrazol-1-yl)benzamide

C20H28N4O — CID 35417488

IUPACN-[3-(4-methylpiperidin-1-yl)propyl]-4-(5-methylpyrazol-1-yl)benzamide
SMILESCc1ccnn1-c1ccc(C(=O)NCCCN2CCC(C)CC2)cc1
InChIInChI=1S/C20H28N4O/c1-16-9-14-23(15-10-16)13-3-11-21-20(25)18-4-6-19(7-5-18)24-17(2)8-12-22-24/h4-8,12,16H,3,9-11,13-15H2,1-2H3,(H,21,25)
InChIKeyIPLONGAHTCWDBG-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.03
Rot. Bonds6

About N-[3-(4-methylpiperidin-1-yl)propyl]-4-(5-methylpyrazol-1-yl)benzamide

N-[3-(4-methylpiperidin-1-yl)propyl]-4-(5-methylpyrazol-1-yl)benzamide (PubChem CID 35417488) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is N-[3-(4-methylpiperidin-1-yl)propyl]-4-(5-methylpyrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[3-(4-methylpiperidin-1-yl)propyl]-4-(5-methylpyrazol-1-yl)benzamide
PubChem CID35417488
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC NameN-[3-(4-methylpiperidin-1-yl)propyl]-4-(5-methylpyrazol-1-yl)benzamide
SMILESCc1ccnn1-c1ccc(C(=O)NCCCN2CCC(C)CC2)cc1
InChIInChI=1S/C20H28N4O/c1-16-9-14-23(15-10-16)13-3-11-21-20(25)18-4-6-19(7-5-18)24-17(2)8-12-22-24/h4-8,12,16H,3,9-11,13-15H2,1-2H3,(H,21,25)
InChIKeyIPLONGAHTCWDBG-UHFFFAOYSA-N
XLogP3.03
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(4-methylpiperidin-1-yl)butyl]benzamide
CID 55716610
4-(5-methylpyrazol-1-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 46602275
4-(cyclopropylsulfamoyl)-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 18150983
N-[3-(4-methylpiperidin-1-yl)propyl]pyridine-3-carboxamide
CID 100628883
4-[(4-methylpiperidin-1-yl)methyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 92682310
5-ethyl-1-(4-methylphenyl)-N-[3-(4-methylpiperidin-1-yl)propyl]pyrazole-4-carboxamide
CID 30837416
4-(3,5-dimethylpyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 2530378
6-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]-4-oxo-1-phenylpyridazine-3-carboxamide
CID 35417792
N-[3-(4-methylpiperidin-1-yl)propyl]-6-oxo-1H-pyridine-3-carboxamide
CID 30541274
4-[2-(methanesulfonamido)ethyl]-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 30541364
4-[(2-fluorophenyl)sulfamoyl]-N-[4-(4-methylpiperidin-1-yl)butyl]benzamide
CID 55724828
2,4,5-trimethyl-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 100709827

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylpiperidin-1-yl)propyl]-4-(5-methylpyrazol-1-yl)benzamide?
The IUPAC name of N-[3-(4-methylpiperidin-1-yl)propyl]-4-(5-methylpyrazol-1-yl)benzamide (CID 35417488) is N-[3-(4-methylpiperidin-1-yl)propyl]-4-(5-methylpyrazol-1-yl)benzamide.
What is the SMILES notation for N-[3-(4-methylpiperidin-1-yl)propyl]-4-(5-methylpyrazol-1-yl)benzamide?
The canonical SMILES for N-[3-(4-methylpiperidin-1-yl)propyl]-4-(5-methylpyrazol-1-yl)benzamide is Cc1ccnn1-c1ccc(C(=O)NCCCN2CCC(C)CC2)cc1.
What is the InChIKey of N-[3-(4-methylpiperidin-1-yl)propyl]-4-(5-methylpyrazol-1-yl)benzamide?
The InChIKey is IPLONGAHTCWDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-16-9-14-23(15-10-16)13-3-11-21-20(25)18-4-6-19(7-5-18)24-17(2)8-12-22-24/h4-8,12,16H,3,9-11,13-15H2,1-2H3,(H,21,25).
What are the key properties of N-[3-(4-methylpiperidin-1-yl)propyl]-4-(5-methylpyrazol-1-yl)benzamide?
N-[3-(4-methylpiperidin-1-yl)propyl]-4-(5-methylpyrazol-1-yl)benzamide has a molecular weight of 340.47 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylpiperidin-1-yl)propyl]-4-(5-methylpyrazol-1-yl)benzamide is sourced from PubChem (CID 35417488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).