2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-1-(3-methylpiperidin-1-yl)ethanone

C17H24N6O — CID 3176429

IUPAC2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-1-(3-methylpiperidin-1-yl)ethanone
SMILESCC1CCCN(C(=O)Cn2nnc(-c3ccc(N(C)C)cc3)n2)C1
InChIInChI=1S/C17H24N6O/c1-13-5-4-10-22(11-13)16(24)12-23-19-17(18-20-23)14-6-8-15(9-7-14)21(2)3/h6-9,13H,4-5,10-12H2,1-3H3
InChIKeyNYUZRSCYEFHHLR-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.66
Rot. Bonds4

About 2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-1-(3-methylpiperidin-1-yl)ethanone

2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-1-(3-methylpiperidin-1-yl)ethanone (PubChem CID 3176429) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-1-(3-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-1-(3-methylpiperidin-1-yl)ethanone
PubChem CID3176429
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-1-(3-methylpiperidin-1-yl)ethanone
SMILESCC1CCCN(C(=O)Cn2nnc(-c3ccc(N(C)C)cc3)n2)C1
InChIInChI=1S/C17H24N6O/c1-13-5-4-10-22(11-13)16(24)12-23-19-17(18-20-23)14-6-8-15(9-7-14)21(2)3/h6-9,13H,4-5,10-12H2,1-3H3
InChIKeyNYUZRSCYEFHHLR-UHFFFAOYSA-N
XLogP1.66
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-1-(3-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-1-(3-methylpiperidin-1-yl)ethanone (CID 3176429) is 2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-1-(3-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-1-(3-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-1-(3-methylpiperidin-1-yl)ethanone is CC1CCCN(C(=O)Cn2nnc(-c3ccc(N(C)C)cc3)n2)C1.
What is the InChIKey of 2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-1-(3-methylpiperidin-1-yl)ethanone?
The InChIKey is NYUZRSCYEFHHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-13-5-4-10-22(11-13)16(24)12-23-19-17(18-20-23)14-6-8-15(9-7-14)21(2)3/h6-9,13H,4-5,10-12H2,1-3H3.
What are the key properties of 2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-1-(3-methylpiperidin-1-yl)ethanone?
2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-1-(3-methylpiperidin-1-yl)ethanone has a molecular weight of 328.42 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-1-(3-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 3176429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).