(1-butyltetrazol-5-yl)methyl 2-(4-piperidin-1-ylsulfonylphenyl)acetate

C19H27N5O4S — CID 55390402

IUPAC(1-butyltetrazol-5-yl)methyl 2-(4-piperidin-1-ylsulfonylphenyl)acetate
SMILESCCCCn1nnnc1COC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C19H27N5O4S/c1-2-3-13-24-18(20-21-22-24)15-28-19(25)14-16-7-9-17(10-8-16)29(26,27)23-11-5-4-6-12-23/h7-10H,2-6,11-15H2,1H3
InChIKeyWNBAWNKAQKCGCS-UHFFFAOYSA-N
MW421.52 g/mol
LogP1.93
Rot. Bonds9

About (1-butyltetrazol-5-yl)methyl 2-(4-piperidin-1-ylsulfonylphenyl)acetate

(1-butyltetrazol-5-yl)methyl 2-(4-piperidin-1-ylsulfonylphenyl)acetate (PubChem CID 55390402) has the molecular formula C19H27N5O4S and a molecular weight of 421.52 g/mol. Its IUPAC name is (1-butyltetrazol-5-yl)methyl 2-(4-piperidin-1-ylsulfonylphenyl)acetate.

Molecular Properties

Compound Name(1-butyltetrazol-5-yl)methyl 2-(4-piperidin-1-ylsulfonylphenyl)acetate
PubChem CID55390402
Molecular FormulaC19H27N5O4S
Molecular Weight421.52 g/mol
Exact Mass421.18
IUPAC Name(1-butyltetrazol-5-yl)methyl 2-(4-piperidin-1-ylsulfonylphenyl)acetate
SMILESCCCCn1nnnc1COC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C19H27N5O4S/c1-2-3-13-24-18(20-21-22-24)15-28-19(25)14-16-7-9-17(10-8-16)29(26,27)23-11-5-4-6-12-23/h7-10H,2-6,11-15H2,1H3
InChIKeyWNBAWNKAQKCGCS-UHFFFAOYSA-N
XLogP1.93
TPSA107.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[2-(diethylamino)-2-oxoethyl] 2-(4-piperidin-1-ylsulfonylphenyl)acetate
CID 55307860
(5-fluoro-2-methoxyphenyl)methyl 2-(4-piperidin-1-ylsulfonylphenyl)acetate
CID 55307859
3-phenoxypropyl 2-(4-piperidin-1-ylsulfonylphenyl)acetate
CID 55569298
1-butyl-6-oxo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyridazine-3-carboxamide
CID 55381555
(1-butyltetrazol-5-yl)methyl 2-[(5-bromofuran-2-carbonyl)amino]acetate
CID 7703282
4-[3-[(1-butyltetrazol-5-yl)methoxy]benzotriazol-5-yl]sulfonylmorpholine
CID 55626704
2-(4-piperidin-1-ylsulfonylphenyl)ethanethioamide
CID 79186250
(1-butyltetrazol-5-yl)methyl 2-(2-benzylphenoxy)acetate
CID 55390176
[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl 2-(4-piperidin-1-ylsulfonylphenyl)acetate
CID 55551240
[2-(cyclopropylamino)-2-oxoethyl] 2-(4-piperidin-1-ylsulfonylphenyl)acetate
CID 7555500
2-(4-fluorophenoxy)ethyl 2-(4-piperidin-1-ylsulfonylphenyl)acetate
CID 9323178
(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-(4-piperidin-1-ylsulfonylphenyl)acetate
CID 55486899

Frequently Asked Questions

What is the IUPAC name of (1-butyltetrazol-5-yl)methyl 2-(4-piperidin-1-ylsulfonylphenyl)acetate?
The IUPAC name of (1-butyltetrazol-5-yl)methyl 2-(4-piperidin-1-ylsulfonylphenyl)acetate (CID 55390402) is (1-butyltetrazol-5-yl)methyl 2-(4-piperidin-1-ylsulfonylphenyl)acetate.
What is the SMILES notation for (1-butyltetrazol-5-yl)methyl 2-(4-piperidin-1-ylsulfonylphenyl)acetate?
The canonical SMILES for (1-butyltetrazol-5-yl)methyl 2-(4-piperidin-1-ylsulfonylphenyl)acetate is CCCCn1nnnc1COC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of (1-butyltetrazol-5-yl)methyl 2-(4-piperidin-1-ylsulfonylphenyl)acetate?
The InChIKey is WNBAWNKAQKCGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O4S/c1-2-3-13-24-18(20-21-22-24)15-28-19(25)14-16-7-9-17(10-8-16)29(26,27)23-11-5-4-6-12-23/h7-10H,2-6,11-15H2,1H3.
What are the key properties of (1-butyltetrazol-5-yl)methyl 2-(4-piperidin-1-ylsulfonylphenyl)acetate?
(1-butyltetrazol-5-yl)methyl 2-(4-piperidin-1-ylsulfonylphenyl)acetate has a molecular weight of 421.52 g/mol, XLogP of 1.93, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butyltetrazol-5-yl)methyl 2-(4-piperidin-1-ylsulfonylphenyl)acetate is sourced from PubChem (CID 55390402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).