2-methyl-N-[1-[2-(tetrazol-1-yl)acetyl]piperidin-4-yl]propanamide

C12H20N6O2 — CID 47041996

IUPAC2-methyl-N-[1-[2-(tetrazol-1-yl)acetyl]piperidin-4-yl]propanamide
SMILESCC(C)C(=O)NC1CCN(C(=O)Cn2cnnn2)CC1
InChIInChI=1S/C12H20N6O2/c1-9(2)12(20)14-10-3-5-17(6-4-10)11(19)7-18-8-13-15-16-18/h8-10H,3-7H2,1-2H3,(H,14,20)
InChIKeyFUAAOUUHTVOPBI-UHFFFAOYSA-N
MW280.33 g/mol
LogP-0.56
Rot. Bonds4

About 2-methyl-N-[1-[2-(tetrazol-1-yl)acetyl]piperidin-4-yl]propanamide

2-methyl-N-[1-[2-(tetrazol-1-yl)acetyl]piperidin-4-yl]propanamide (PubChem CID 47041996) has the molecular formula C12H20N6O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-methyl-N-[1-[2-(tetrazol-1-yl)acetyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[1-[2-(tetrazol-1-yl)acetyl]piperidin-4-yl]propanamide
PubChem CID47041996
Molecular FormulaC12H20N6O2
Molecular Weight280.33 g/mol
Exact Mass280.16
IUPAC Name2-methyl-N-[1-[2-(tetrazol-1-yl)acetyl]piperidin-4-yl]propanamide
SMILESCC(C)C(=O)NC1CCN(C(=O)Cn2cnnn2)CC1
InChIInChI=1S/C12H20N6O2/c1-9(2)12(20)14-10-3-5-17(6-4-10)11(19)7-18-8-13-15-16-18/h8-10H,3-7H2,1-2H3,(H,14,20)
InChIKeyFUAAOUUHTVOPBI-UHFFFAOYSA-N
XLogP-0.56
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-[2-(tetrazol-1-yl)acetyl]piperidin-4-yl]propanamide?
The IUPAC name of 2-methyl-N-[1-[2-(tetrazol-1-yl)acetyl]piperidin-4-yl]propanamide (CID 47041996) is 2-methyl-N-[1-[2-(tetrazol-1-yl)acetyl]piperidin-4-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[1-[2-(tetrazol-1-yl)acetyl]piperidin-4-yl]propanamide?
The canonical SMILES for 2-methyl-N-[1-[2-(tetrazol-1-yl)acetyl]piperidin-4-yl]propanamide is CC(C)C(=O)NC1CCN(C(=O)Cn2cnnn2)CC1.
What is the InChIKey of 2-methyl-N-[1-[2-(tetrazol-1-yl)acetyl]piperidin-4-yl]propanamide?
The InChIKey is FUAAOUUHTVOPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O2/c1-9(2)12(20)14-10-3-5-17(6-4-10)11(19)7-18-8-13-15-16-18/h8-10H,3-7H2,1-2H3,(H,14,20).
What are the key properties of 2-methyl-N-[1-[2-(tetrazol-1-yl)acetyl]piperidin-4-yl]propanamide?
2-methyl-N-[1-[2-(tetrazol-1-yl)acetyl]piperidin-4-yl]propanamide has a molecular weight of 280.33 g/mol, XLogP of -0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-[2-(tetrazol-1-yl)acetyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 47041996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).