5-chloro-4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylbenzamide

C17H25ClN4O — CID 68681099

IUPAC5-chloro-4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylbenzamide
SMILESCN1CCN(c2cc(N3CCCCC3)c(C(N)=O)cc2Cl)CC1
InChIInChI=1S/C17H25ClN4O/c1-20-7-9-22(10-8-20)16-12-15(21-5-3-2-4-6-21)13(17(19)23)11-14(16)18/h11-12H,2-10H2,1H3,(H2,19,23)
InChIKeyDURNNHMORGTKMC-UHFFFAOYSA-N
MW336.87 g/mol
LogP2.18
Rot. Bonds3

About 5-chloro-4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylbenzamide

5-chloro-4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylbenzamide (PubChem CID 68681099) has the molecular formula C17H25ClN4O and a molecular weight of 336.87 g/mol. Its IUPAC name is 5-chloro-4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylbenzamide.

Molecular Properties

Compound Name5-chloro-4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylbenzamide
PubChem CID68681099
Molecular FormulaC17H25ClN4O
Molecular Weight336.87 g/mol
Exact Mass336.17
IUPAC Name5-chloro-4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylbenzamide
SMILESCN1CCN(c2cc(N3CCCCC3)c(C(N)=O)cc2Cl)CC1
InChIInChI=1S/C17H25ClN4O/c1-20-7-9-22(10-8-20)16-12-15(21-5-3-2-4-6-21)13(17(19)23)11-14(16)18/h11-12H,2-10H2,1H3,(H2,19,23)
InChIKeyDURNNHMORGTKMC-UHFFFAOYSA-N
XLogP2.18
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.87
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylbenzamide?
The IUPAC name of 5-chloro-4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylbenzamide (CID 68681099) is 5-chloro-4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylbenzamide.
What is the SMILES notation for 5-chloro-4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylbenzamide?
The canonical SMILES for 5-chloro-4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylbenzamide is CN1CCN(c2cc(N3CCCCC3)c(C(N)=O)cc2Cl)CC1.
What is the InChIKey of 5-chloro-4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylbenzamide?
The InChIKey is DURNNHMORGTKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN4O/c1-20-7-9-22(10-8-20)16-12-15(21-5-3-2-4-6-21)13(17(19)23)11-14(16)18/h11-12H,2-10H2,1H3,(H2,19,23).
What are the key properties of 5-chloro-4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylbenzamide?
5-chloro-4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylbenzamide has a molecular weight of 336.87 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylbenzamide is sourced from PubChem (CID 68681099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).