1-(4-methylpiperazin-1-yl)-2-[1-[(1-propyltetrazol-5-yl)methyl]piperidin-4-yl]ethanone

C17H31N7O — CID 56804673

IUPAC1-(4-methylpiperazin-1-yl)-2-[1-[(1-propyltetrazol-5-yl)methyl]piperidin-4-yl]ethanone
SMILESCCCn1nnnc1CN1CCC(CC(=O)N2CCN(C)CC2)CC1
InChIInChI=1S/C17H31N7O/c1-3-6-24-16(18-19-20-24)14-22-7-4-15(5-8-22)13-17(25)23-11-9-21(2)10-12-23/h15H,3-14H2,1-2H3
InChIKeyXGJLIMXVEDLACL-UHFFFAOYSA-N
MW349.48 g/mol
LogP0.46
Rot. Bonds6

About 1-(4-methylpiperazin-1-yl)-2-[1-[(1-propyltetrazol-5-yl)methyl]piperidin-4-yl]ethanone

1-(4-methylpiperazin-1-yl)-2-[1-[(1-propyltetrazol-5-yl)methyl]piperidin-4-yl]ethanone (PubChem CID 56804673) has the molecular formula C17H31N7O and a molecular weight of 349.48 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-2-[1-[(1-propyltetrazol-5-yl)methyl]piperidin-4-yl]ethanone.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-2-[1-[(1-propyltetrazol-5-yl)methyl]piperidin-4-yl]ethanone
PubChem CID56804673
Molecular FormulaC17H31N7O
Molecular Weight349.48 g/mol
Exact Mass349.26
IUPAC Name1-(4-methylpiperazin-1-yl)-2-[1-[(1-propyltetrazol-5-yl)methyl]piperidin-4-yl]ethanone
SMILESCCCn1nnnc1CN1CCC(CC(=O)N2CCN(C)CC2)CC1
InChIInChI=1S/C17H31N7O/c1-3-6-24-16(18-19-20-24)14-22-7-4-15(5-8-22)13-17(25)23-11-9-21(2)10-12-23/h15H,3-14H2,1-2H3
InChIKeyXGJLIMXVEDLACL-UHFFFAOYSA-N
XLogP0.46
TPSA70.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-2-[1-[(1-propyltetrazol-5-yl)methyl]piperidin-4-yl]ethanone?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-2-[1-[(1-propyltetrazol-5-yl)methyl]piperidin-4-yl]ethanone (CID 56804673) is 1-(4-methylpiperazin-1-yl)-2-[1-[(1-propyltetrazol-5-yl)methyl]piperidin-4-yl]ethanone.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-2-[1-[(1-propyltetrazol-5-yl)methyl]piperidin-4-yl]ethanone?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-2-[1-[(1-propyltetrazol-5-yl)methyl]piperidin-4-yl]ethanone is CCCn1nnnc1CN1CCC(CC(=O)N2CCN(C)CC2)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-2-[1-[(1-propyltetrazol-5-yl)methyl]piperidin-4-yl]ethanone?
The InChIKey is XGJLIMXVEDLACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N7O/c1-3-6-24-16(18-19-20-24)14-22-7-4-15(5-8-22)13-17(25)23-11-9-21(2)10-12-23/h15H,3-14H2,1-2H3.
What are the key properties of 1-(4-methylpiperazin-1-yl)-2-[1-[(1-propyltetrazol-5-yl)methyl]piperidin-4-yl]ethanone?
1-(4-methylpiperazin-1-yl)-2-[1-[(1-propyltetrazol-5-yl)methyl]piperidin-4-yl]ethanone has a molecular weight of 349.48 g/mol, XLogP of 0.46, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-2-[1-[(1-propyltetrazol-5-yl)methyl]piperidin-4-yl]ethanone is sourced from PubChem (CID 56804673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).