4-methyl-N-[(2R)-2-piperazin-1-ylpropyl]-N-pyridin-2-ylbenzamide

C20H26N4O — CID 71195542

IUPAC4-methyl-N-[(2R)-2-piperazin-1-ylpropyl]-N-pyridin-2-ylbenzamide
SMILESCc1ccc(C(=O)N(C[C@@H](C)N2CCNCC2)c2ccccn2)cc1
InChIInChI=1S/C20H26N4O/c1-16-6-8-18(9-7-16)20(25)24(19-5-3-4-10-22-19)15-17(2)23-13-11-21-12-14-23/h3-10,17,21H,11-15H2,1-2H3/t17-/m1/s1
InChIKeyXCAGHTFWQFZHAV-QGZVFWFLSA-N
MW338.46 g/mol
LogP2.33
Rot. Bonds5

About 4-methyl-N-[(2R)-2-piperazin-1-ylpropyl]-N-pyridin-2-ylbenzamide

4-methyl-N-[(2R)-2-piperazin-1-ylpropyl]-N-pyridin-2-ylbenzamide (PubChem CID 71195542) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 4-methyl-N-[(2R)-2-piperazin-1-ylpropyl]-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound Name4-methyl-N-[(2R)-2-piperazin-1-ylpropyl]-N-pyridin-2-ylbenzamide
PubChem CID71195542
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name4-methyl-N-[(2R)-2-piperazin-1-ylpropyl]-N-pyridin-2-ylbenzamide
SMILESCc1ccc(C(=O)N(C[C@@H](C)N2CCNCC2)c2ccccn2)cc1
InChIInChI=1S/C20H26N4O/c1-16-6-8-18(9-7-16)20(25)24(19-5-3-4-10-22-19)15-17(2)23-13-11-21-12-14-23/h3-10,17,21H,11-15H2,1-2H3/t17-/m1/s1
InChIKeyXCAGHTFWQFZHAV-QGZVFWFLSA-N
XLogP2.33
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(2R)-2-piperazin-1-ylpropyl]-N-pyridin-2-ylbenzamide?
The IUPAC name of 4-methyl-N-[(2R)-2-piperazin-1-ylpropyl]-N-pyridin-2-ylbenzamide (CID 71195542) is 4-methyl-N-[(2R)-2-piperazin-1-ylpropyl]-N-pyridin-2-ylbenzamide.
What is the SMILES notation for 4-methyl-N-[(2R)-2-piperazin-1-ylpropyl]-N-pyridin-2-ylbenzamide?
The canonical SMILES for 4-methyl-N-[(2R)-2-piperazin-1-ylpropyl]-N-pyridin-2-ylbenzamide is Cc1ccc(C(=O)N(C[C@@H](C)N2CCNCC2)c2ccccn2)cc1.
What is the InChIKey of 4-methyl-N-[(2R)-2-piperazin-1-ylpropyl]-N-pyridin-2-ylbenzamide?
The InChIKey is XCAGHTFWQFZHAV-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H26N4O/c1-16-6-8-18(9-7-16)20(25)24(19-5-3-4-10-22-19)15-17(2)23-13-11-21-12-14-23/h3-10,17,21H,11-15H2,1-2H3/t17-/m1/s1.
What are the key properties of 4-methyl-N-[(2R)-2-piperazin-1-ylpropyl]-N-pyridin-2-ylbenzamide?
4-methyl-N-[(2R)-2-piperazin-1-ylpropyl]-N-pyridin-2-ylbenzamide has a molecular weight of 338.46 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(2R)-2-piperazin-1-ylpropyl]-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 71195542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).