2-[(3R)-4-benzyl-3-methylpiperazin-1-yl]-N-(2H-tetrazol-5-ylmethyl)acetamide

C16H23N7O — CID 155962236

IUPAC2-[(3R)-4-benzyl-3-methylpiperazin-1-yl]-N-(2H-tetrazol-5-ylmethyl)acetamide
SMILESC[C@@H]1CN(CC(=O)NCc2nn[nH]n2)CCN1Cc1ccccc1
InChIInChI=1S/C16H23N7O/c1-13-10-22(12-16(24)17-9-15-18-20-21-19-15)7-8-23(13)11-14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3,(H,17,24)(H,18,19,20,21)/t13-/m1/s1
InChIKeyRUIATGYOEIVTJS-CYBMUJFWSA-N
MW329.41 g/mol
LogP0.02
Rot. Bonds6

About 2-[(3R)-4-benzyl-3-methylpiperazin-1-yl]-N-(2H-tetrazol-5-ylmethyl)acetamide

2-[(3R)-4-benzyl-3-methylpiperazin-1-yl]-N-(2H-tetrazol-5-ylmethyl)acetamide (PubChem CID 155962236) has the molecular formula C16H23N7O and a molecular weight of 329.41 g/mol. Its IUPAC name is 2-[(3R)-4-benzyl-3-methylpiperazin-1-yl]-N-(2H-tetrazol-5-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(3R)-4-benzyl-3-methylpiperazin-1-yl]-N-(2H-tetrazol-5-ylmethyl)acetamide
PubChem CID155962236
Molecular FormulaC16H23N7O
Molecular Weight329.41 g/mol
Exact Mass329.20
IUPAC Name2-[(3R)-4-benzyl-3-methylpiperazin-1-yl]-N-(2H-tetrazol-5-ylmethyl)acetamide
SMILESC[C@@H]1CN(CC(=O)NCc2nn[nH]n2)CCN1Cc1ccccc1
InChIInChI=1S/C16H23N7O/c1-13-10-22(12-16(24)17-9-15-18-20-21-19-15)7-8-23(13)11-14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3,(H,17,24)(H,18,19,20,21)/t13-/m1/s1
InChIKeyRUIATGYOEIVTJS-CYBMUJFWSA-N
XLogP0.02
TPSA90.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(3R)-4-benzyl-3-methylpiperazin-1-yl]-N-(2H-tetrazol-5-ylmethyl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(4-benzyl-3-methylpiperazin-1-yl)ethanethioamide
CID 131226911
1-[2-[(2S)-1-benzylpiperidin-2-yl]ethyl]-3-(2H-tetrazol-5-ylmethyl)urea
CID 126450941
N-benzyl-2-[(3S)-3-methylpiperazin-1-yl]acetamide
CID 104976872
2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-N-(3-phenylpropyl)acetamide
CID 56802208
(2R)-1-benzyl-N-[2-(2H-tetrazol-5-yl)ethyl]piperidine-2-carboxamide
CID 124758816
N-benzyl-2-[(3S)-1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]acetamide
CID 95974838
2-[4-(azetidin-3-yl)piperazin-1-yl]-N-benzylacetamide
CID 66202371
N-benzyl-2-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30636513
N-benzyl-2-[4-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30636504
(4-benzyl-3-methylpiperazin-1-yl)-phenylmethanone
CID 10803751
2-(4-benzylpiperazin-1-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 30863248
4-benzyl-N-tert-butyl-3-methylpiperazine-1-carboxamide
CID 70933120

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-4-benzyl-3-methylpiperazin-1-yl]-N-(2H-tetrazol-5-ylmethyl)acetamide?
The IUPAC name of 2-[(3R)-4-benzyl-3-methylpiperazin-1-yl]-N-(2H-tetrazol-5-ylmethyl)acetamide (CID 155962236) is 2-[(3R)-4-benzyl-3-methylpiperazin-1-yl]-N-(2H-tetrazol-5-ylmethyl)acetamide.
What is the SMILES notation for 2-[(3R)-4-benzyl-3-methylpiperazin-1-yl]-N-(2H-tetrazol-5-ylmethyl)acetamide?
The canonical SMILES for 2-[(3R)-4-benzyl-3-methylpiperazin-1-yl]-N-(2H-tetrazol-5-ylmethyl)acetamide is C[C@@H]1CN(CC(=O)NCc2nn[nH]n2)CCN1Cc1ccccc1.
What is the InChIKey of 2-[(3R)-4-benzyl-3-methylpiperazin-1-yl]-N-(2H-tetrazol-5-ylmethyl)acetamide?
The InChIKey is RUIATGYOEIVTJS-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H23N7O/c1-13-10-22(12-16(24)17-9-15-18-20-21-19-15)7-8-23(13)11-14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3,(H,17,24)(H,18,19,20,21)/t13-/m1/s1.
What are the key properties of 2-[(3R)-4-benzyl-3-methylpiperazin-1-yl]-N-(2H-tetrazol-5-ylmethyl)acetamide?
2-[(3R)-4-benzyl-3-methylpiperazin-1-yl]-N-(2H-tetrazol-5-ylmethyl)acetamide has a molecular weight of 329.41 g/mol, XLogP of 0.02, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-4-benzyl-3-methylpiperazin-1-yl]-N-(2H-tetrazol-5-ylmethyl)acetamide is sourced from PubChem (CID 155962236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).