4-(4-methylpiperazin-1-yl)-N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]benzamide

C19H28N6O — CID 95148939

IUPAC4-(4-methylpiperazin-1-yl)-N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]benzamide
SMILESCCCn1ncnc1[C@H](C)NC(=O)c1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C19H28N6O/c1-4-9-25-18(20-14-21-25)15(2)22-19(26)16-5-7-17(8-6-16)24-12-10-23(3)11-13-24/h5-8,14-15H,4,9-13H2,1-3H3,(H,22,26)/t15-/m0/s1
InChIKeyMNLBGACFYBZAMM-HNNXBMFYSA-N
MW356.47 g/mol
LogP1.93
Rot. Bonds6

About 4-(4-methylpiperazin-1-yl)-N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]benzamide

4-(4-methylpiperazin-1-yl)-N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]benzamide (PubChem CID 95148939) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]benzamide
PubChem CID95148939
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC Name4-(4-methylpiperazin-1-yl)-N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]benzamide
SMILESCCCn1ncnc1[C@H](C)NC(=O)c1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C19H28N6O/c1-4-9-25-18(20-14-21-25)15(2)22-19(26)16-5-7-17(8-6-16)24-12-10-23(3)11-13-24/h5-8,14-15H,4,9-13H2,1-3H3,(H,22,26)/t15-/m0/s1
InChIKeyMNLBGACFYBZAMM-HNNXBMFYSA-N
XLogP1.93
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]benzamide?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]benzamide (CID 95148939) is 4-(4-methylpiperazin-1-yl)-N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]benzamide.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]benzamide?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]benzamide is CCCn1ncnc1[C@H](C)NC(=O)c1ccc(N2CCN(C)CC2)cc1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]benzamide?
The InChIKey is MNLBGACFYBZAMM-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H28N6O/c1-4-9-25-18(20-14-21-25)15(2)22-19(26)16-5-7-17(8-6-16)24-12-10-23(3)11-13-24/h5-8,14-15H,4,9-13H2,1-3H3,(H,22,26)/t15-/m0/s1.
What are the key properties of 4-(4-methylpiperazin-1-yl)-N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]benzamide?
4-(4-methylpiperazin-1-yl)-N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]benzamide has a molecular weight of 356.47 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]benzamide is sourced from PubChem (CID 95148939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).