N-(1-benzylpiperidin-4-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[2-(3-methylbutylamino)-2-oxoethyl]acetamide

C28H36FN7O2 — CID 3179372

IUPACN-(1-benzylpiperidin-4-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[2-(3-methylbutylamino)-2-oxoethyl]acetamide
SMILESCC(C)CCNC(=O)CN(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C28H36FN7O2/c1-21(2)12-15-30-26(37)19-35(25-13-16-34(17-14-25)18-22-6-4-3-5-7-22)27(38)20-36-32-28(31-33-36)23-8-10-24(29)11-9-23/h3-11,21,25H,12-20H2,1-2H3,(H,30,37)
InChIKeyZWTMJYSSBVOLGG-UHFFFAOYSA-N
MW521.64 g/mol
LogP3.13
Rot. Bonds11

About N-(1-benzylpiperidin-4-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[2-(3-methylbutylamino)-2-oxoethyl]acetamide

N-(1-benzylpiperidin-4-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[2-(3-methylbutylamino)-2-oxoethyl]acetamide (PubChem CID 3179372) has the molecular formula C28H36FN7O2 and a molecular weight of 521.64 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[2-(3-methylbutylamino)-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[2-(3-methylbutylamino)-2-oxoethyl]acetamide
PubChem CID3179372
Molecular FormulaC28H36FN7O2
Molecular Weight521.64 g/mol
Exact Mass521.29
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[2-(3-methylbutylamino)-2-oxoethyl]acetamide
SMILESCC(C)CCNC(=O)CN(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C28H36FN7O2/c1-21(2)12-15-30-26(37)19-35(25-13-16-34(17-14-25)18-22-6-4-3-5-7-22)27(38)20-36-32-28(31-33-36)23-8-10-24(29)11-9-23/h3-11,21,25H,12-20H2,1-2H3,(H,30,37)
InChIKeyZWTMJYSSBVOLGG-UHFFFAOYSA-N
XLogP3.13
TPSA96.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.64
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(1-benzylpiperidin-4-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[2-(3-methylbutylamino)-2-oxoethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[2-(3-methylbutylamino)-2-oxoethyl]acetamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[2-(3-methylbutylamino)-2-oxoethyl]acetamide (CID 3179372) is N-(1-benzylpiperidin-4-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[2-(3-methylbutylamino)-2-oxoethyl]acetamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[2-(3-methylbutylamino)-2-oxoethyl]acetamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[2-(3-methylbutylamino)-2-oxoethyl]acetamide is CC(C)CCNC(=O)CN(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[2-(3-methylbutylamino)-2-oxoethyl]acetamide?
The InChIKey is ZWTMJYSSBVOLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36FN7O2/c1-21(2)12-15-30-26(37)19-35(25-13-16-34(17-14-25)18-22-6-4-3-5-7-22)27(38)20-36-32-28(31-33-36)23-8-10-24(29)11-9-23/h3-11,21,25H,12-20H2,1-2H3,(H,30,37).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[2-(3-methylbutylamino)-2-oxoethyl]acetamide?
N-(1-benzylpiperidin-4-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[2-(3-methylbutylamino)-2-oxoethyl]acetamide has a molecular weight of 521.64 g/mol, XLogP of 3.13, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[2-(3-methylbutylamino)-2-oxoethyl]acetamide is sourced from PubChem (CID 3179372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).