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

C19H28N8O2 — CID 55697418

IUPAC4-[2-(butan-2-ylamino)-2-oxoethyl]-N-[4-methyl-3-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide
SMILESCCC(C)NC(=O)CN1CCN(C(=O)Nc2ccc(C)c(-n3cnnn3)c2)CC1
InChIInChI=1S/C19H28N8O2/c1-4-15(3)21-18(28)12-25-7-9-26(10-8-25)19(29)22-16-6-5-14(2)17(11-16)27-13-20-23-24-27/h5-6,11,13,15H,4,7-10,12H2,1-3H3,(H,21,28)(H,22,29)
InChIKeyQQARFXUYHUFDDK-UHFFFAOYSA-N
MW400.49 g/mol
LogP1.03
Rot. Bonds6

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

4-[2-(butan-2-ylamino)-2-oxoethyl]-N-[4-methyl-3-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide (PubChem CID 55697418) has the molecular formula C19H28N8O2 and a molecular weight of 400.49 g/mol. Its IUPAC name is 4-[2-(butan-2-ylamino)-2-oxoethyl]-N-[4-methyl-3-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(butan-2-ylamino)-2-oxoethyl]-N-[4-methyl-3-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide
PubChem CID55697418
Molecular FormulaC19H28N8O2
Molecular Weight400.49 g/mol
Exact Mass400.23
IUPAC Name4-[2-(butan-2-ylamino)-2-oxoethyl]-N-[4-methyl-3-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide
SMILESCCC(C)NC(=O)CN1CCN(C(=O)Nc2ccc(C)c(-n3cnnn3)c2)CC1
InChIInChI=1S/C19H28N8O2/c1-4-15(3)21-18(28)12-25-7-9-26(10-8-25)19(29)22-16-6-5-14(2)17(11-16)27-13-20-23-24-27/h5-6,11,13,15H,4,7-10,12H2,1-3H3,(H,21,28)(H,22,29)
InChIKeyQQARFXUYHUFDDK-UHFFFAOYSA-N
XLogP1.03
TPSA108.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[2-(butan-2-ylamino)-2-oxoethyl]-N-[4-methyl-3-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide with MolForge

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Related Compounds

4-(2-anilino-2-oxoethyl)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide
CID 55697419
4-(cyclopropanecarbonyl)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide
CID 55697259
N-[4-methyl-3-(tetrazol-1-yl)phenyl]-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86988626
4-[2-(butan-2-ylamino)-2-oxoethyl]-N-(4-methylsulfonylphenyl)piperazine-1-carboxamide
CID 55695436
ethyl 2-[4-methyl-3-(tetrazol-1-yl)anilino]-2-oxoacetate
CID 50776937
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-propan-2-ylpiperidine-1-carboxamide
CID 75524686
N-[4-methyl-3-(tetrazol-1-yl)phenyl]-4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepane-1-carboxamide
CID 86837518
4-[2-(butan-2-ylamino)-2-oxoethyl]-N-(1-methylpyrazol-3-yl)piperazine-1-carboxamide
CID 60616938
2-[2-[4-methyl-3-(tetrazol-1-yl)anilino]-2-oxoethyl]sulfanylacetic acid
CID 104569427
2-(1-aminocyclobutyl)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]acetamide
CID 79843120
1,1-dimethyl-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea
CID 47033827

Frequently Asked Questions

What is the IUPAC name of 4-[2-(butan-2-ylamino)-2-oxoethyl]-N-[4-methyl-3-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-[2-(butan-2-ylamino)-2-oxoethyl]-N-[4-methyl-3-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide (CID 55697418) is 4-[2-(butan-2-ylamino)-2-oxoethyl]-N-[4-methyl-3-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[2-(butan-2-ylamino)-2-oxoethyl]-N-[4-methyl-3-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-[2-(butan-2-ylamino)-2-oxoethyl]-N-[4-methyl-3-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide is CCC(C)NC(=O)CN1CCN(C(=O)Nc2ccc(C)c(-n3cnnn3)c2)CC1.
What is the InChIKey of 4-[2-(butan-2-ylamino)-2-oxoethyl]-N-[4-methyl-3-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide?
The InChIKey is QQARFXUYHUFDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N8O2/c1-4-15(3)21-18(28)12-25-7-9-26(10-8-25)19(29)22-16-6-5-14(2)17(11-16)27-13-20-23-24-27/h5-6,11,13,15H,4,7-10,12H2,1-3H3,(H,21,28)(H,22,29).
What are the key properties of 4-[2-(butan-2-ylamino)-2-oxoethyl]-N-[4-methyl-3-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide?
4-[2-(butan-2-ylamino)-2-oxoethyl]-N-[4-methyl-3-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide has a molecular weight of 400.49 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(butan-2-ylamino)-2-oxoethyl]-N-[4-methyl-3-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 55697418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).