methyl 2-[1-[4-(5-methyltetrazol-1-yl)benzoyl]piperidin-4-yl]acetate

C17H21N5O3 — CID 56763041

IUPACmethyl 2-[1-[4-(5-methyltetrazol-1-yl)benzoyl]piperidin-4-yl]acetate
SMILESCOC(=O)CC1CCN(C(=O)c2ccc(-n3nnnc3C)cc2)CC1
InChIInChI=1S/C17H21N5O3/c1-12-18-19-20-22(12)15-5-3-14(4-6-15)17(24)21-9-7-13(8-10-21)11-16(23)25-2/h3-6,13H,7-11H2,1-2H3
InChIKeyZZRPATPOVLXPSA-UHFFFAOYSA-N
MW343.39 g/mol
LogP1.39
Rot. Bonds4

About methyl 2-[1-[4-(5-methyltetrazol-1-yl)benzoyl]piperidin-4-yl]acetate

methyl 2-[1-[4-(5-methyltetrazol-1-yl)benzoyl]piperidin-4-yl]acetate (PubChem CID 56763041) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is methyl 2-[1-[4-(5-methyltetrazol-1-yl)benzoyl]piperidin-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[4-(5-methyltetrazol-1-yl)benzoyl]piperidin-4-yl]acetate
PubChem CID56763041
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Namemethyl 2-[1-[4-(5-methyltetrazol-1-yl)benzoyl]piperidin-4-yl]acetate
SMILESCOC(=O)CC1CCN(C(=O)c2ccc(-n3nnnc3C)cc2)CC1
InChIInChI=1S/C17H21N5O3/c1-12-18-19-20-22(12)15-5-3-14(4-6-15)17(24)21-9-7-13(8-10-21)11-16(23)25-2/h3-6,13H,7-11H2,1-2H3
InChIKeyZZRPATPOVLXPSA-UHFFFAOYSA-N
XLogP1.39
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[4-(5-methyltetrazol-1-yl)benzoyl]piperidin-4-yl]acetate?
The IUPAC name of methyl 2-[1-[4-(5-methyltetrazol-1-yl)benzoyl]piperidin-4-yl]acetate (CID 56763041) is methyl 2-[1-[4-(5-methyltetrazol-1-yl)benzoyl]piperidin-4-yl]acetate.
What is the SMILES notation for methyl 2-[1-[4-(5-methyltetrazol-1-yl)benzoyl]piperidin-4-yl]acetate?
The canonical SMILES for methyl 2-[1-[4-(5-methyltetrazol-1-yl)benzoyl]piperidin-4-yl]acetate is COC(=O)CC1CCN(C(=O)c2ccc(-n3nnnc3C)cc2)CC1.
What is the InChIKey of methyl 2-[1-[4-(5-methyltetrazol-1-yl)benzoyl]piperidin-4-yl]acetate?
The InChIKey is ZZRPATPOVLXPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-12-18-19-20-22(12)15-5-3-14(4-6-15)17(24)21-9-7-13(8-10-21)11-16(23)25-2/h3-6,13H,7-11H2,1-2H3.
What are the key properties of methyl 2-[1-[4-(5-methyltetrazol-1-yl)benzoyl]piperidin-4-yl]acetate?
methyl 2-[1-[4-(5-methyltetrazol-1-yl)benzoyl]piperidin-4-yl]acetate has a molecular weight of 343.39 g/mol, XLogP of 1.39, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[4-(5-methyltetrazol-1-yl)benzoyl]piperidin-4-yl]acetate is sourced from PubChem (CID 56763041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).