2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide

C21H25N7O — CID 1439317

IUPAC2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESCc1cccc(N2CCN(CC(=O)Nc3ccc(-n4cnnn4)cc3)CC2)c1C
InChIInChI=1S/C21H25N7O/c1-16-4-3-5-20(17(16)2)27-12-10-26(11-13-27)14-21(29)23-18-6-8-19(9-7-18)28-15-22-24-25-28/h3-9,15H,10-14H2,1-2H3,(H,23,29)
InChIKeyKYWXJTLILPEZGW-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.04
Rot. Bonds5

About 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide

2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide (PubChem CID 1439317) has the molecular formula C21H25N7O and a molecular weight of 391.48 g/mol. Its IUPAC name is 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide
PubChem CID1439317
Molecular FormulaC21H25N7O
Molecular Weight391.48 g/mol
Exact Mass391.21
IUPAC Name2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESCc1cccc(N2CCN(CC(=O)Nc3ccc(-n4cnnn4)cc3)CC2)c1C
InChIInChI=1S/C21H25N7O/c1-16-4-3-5-20(17(16)2)27-12-10-26(11-13-27)14-21(29)23-18-6-8-19(9-7-18)28-15-22-24-25-28/h3-9,15H,10-14H2,1-2H3,(H,23,29)
InChIKeyKYWXJTLILPEZGW-UHFFFAOYSA-N
XLogP2.04
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-[3-methyl-4-(tetrazol-1-yl)phenyl]prop-2-ynamide
CID 3216697
N-[2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-[3-methyl-4-(tetrazol-1-yl)phenyl]prop-2-ynamide
CID 3216701
2-[1-(3,4-Dimethyl-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-(2-piperidin-1-yl-phenyl)-acetamide
CID 648201
1-(1-phenyltetrazol-5-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
CID 653790
Pyrrolidine-1,2-dicarboxylic acid 2-[(3-methyl-4-tetrazol-1-yl-phenyl)-amide] 1-p-tolylamide
CID 3219768
1-N-(4-propan-2-ylphenyl)-2-N-[4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide
CID 3230219
2-Acetylamino-N-[1-(1-phenyl-1H-tetrazol-5-yl)-piperidin-4-yl]-3-o-tolyl-propionamide
CID 3232519
2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 4422829
2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 4900136
6,7-dimethyl-3-[[4-(tetrazol-1-yl)anilino]methyl]-1H-quinolin-2-one
CID 118955712
2-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-N-(4-tetrazol-1-yl-phenyl)-acetamide
CID 648187
2-[3-(2-Fluoro-phenyl)-6-oxo-6H-pyridazin-1-yl]-N-(3-methyl-4-tetrazol-1-yl-phenyl)-acetamide
CID 648035

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide?
The IUPAC name of 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide (CID 1439317) is 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide?
The canonical SMILES for 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide is Cc1cccc(N2CCN(CC(=O)Nc3ccc(-n4cnnn4)cc3)CC2)c1C.
What is the InChIKey of 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide?
The InChIKey is KYWXJTLILPEZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O/c1-16-4-3-5-20(17(16)2)27-12-10-26(11-13-27)14-21(29)23-18-6-8-19(9-7-18)28-15-22-24-25-28/h3-9,15H,10-14H2,1-2H3,(H,23,29).
What are the key properties of 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide?
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide has a molecular weight of 391.48 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 1439317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).