4-(2-anilino-2-oxoethyl)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide

C21H24N8O2 — CID 55697419

IUPAC4-(2-anilino-2-oxoethyl)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)cc1-n1cnnn1
InChIInChI=1S/C21H24N8O2/c1-16-7-8-18(13-19(16)29-15-22-25-26-29)24-21(31)28-11-9-27(10-12-28)14-20(30)23-17-5-3-2-4-6-17/h2-8,13,15H,9-12,14H2,1H3,(H,23,30)(H,24,31)
InChIKeyLQTBOJVVRQETKF-UHFFFAOYSA-N
MW420.48 g/mol
LogP1.76
Rot. Bonds5

About 4-(2-anilino-2-oxoethyl)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide

4-(2-anilino-2-oxoethyl)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide (PubChem CID 55697419) has the molecular formula C21H24N8O2 and a molecular weight of 420.48 g/mol. Its IUPAC name is 4-(2-anilino-2-oxoethyl)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-anilino-2-oxoethyl)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide
PubChem CID55697419
Molecular FormulaC21H24N8O2
Molecular Weight420.48 g/mol
Exact Mass420.20
IUPAC Name4-(2-anilino-2-oxoethyl)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)cc1-n1cnnn1
InChIInChI=1S/C21H24N8O2/c1-16-7-8-18(13-19(16)29-15-22-25-26-29)24-21(31)28-11-9-27(10-12-28)14-20(30)23-17-5-3-2-4-6-17/h2-8,13,15H,9-12,14H2,1H3,(H,23,30)(H,24,31)
InChIKeyLQTBOJVVRQETKF-UHFFFAOYSA-N
XLogP1.76
TPSA108.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.48
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[2-(butan-2-ylamino)-2-oxoethyl]-N-[4-methyl-3-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide
CID 55697418
N-[4-methyl-3-(tetrazol-1-yl)phenyl]-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86988626
4-[2-(3-fluoroanilino)-2-oxoethyl]-N-phenylpiperazine-1-carboxamide
CID 17397265
2-(cyclopropylmethylamino)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]acetamide;hydrochloride
CID 119720369
2-(1-aminocyclobutyl)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]acetamide
CID 79843120
4-[cyclohexyl(methyl)sulfamoyl]-N-[4-methyl-3-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide
CID 55697672
N-[4-methyl-3-(tetrazol-1-yl)phenyl]-2,2-diphenylacetamide
CID 39226018
N-[4-methyl-3-(tetrazol-1-yl)phenyl]-4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepane-1-carboxamide
CID 86837518
3-(cyclopropylamino)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide
CID 60866697
ethyl 2-[4-methyl-3-(tetrazol-1-yl)anilino]-2-oxoacetate
CID 50776937
4-benzyl-N-[2-methyl-5-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide
CID 47039545
4-(2-anilino-2-oxoethyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide
CID 87000001

Frequently Asked Questions

What is the IUPAC name of 4-(2-anilino-2-oxoethyl)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-(2-anilino-2-oxoethyl)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide (CID 55697419) is 4-(2-anilino-2-oxoethyl)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-anilino-2-oxoethyl)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2-anilino-2-oxoethyl)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide is Cc1ccc(NC(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)cc1-n1cnnn1.
What is the InChIKey of 4-(2-anilino-2-oxoethyl)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide?
The InChIKey is LQTBOJVVRQETKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N8O2/c1-16-7-8-18(13-19(16)29-15-22-25-26-29)24-21(31)28-11-9-27(10-12-28)14-20(30)23-17-5-3-2-4-6-17/h2-8,13,15H,9-12,14H2,1H3,(H,23,30)(H,24,31).
What are the key properties of 4-(2-anilino-2-oxoethyl)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide?
4-(2-anilino-2-oxoethyl)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide has a molecular weight of 420.48 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-anilino-2-oxoethyl)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 55697419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).