4-[2-(azepan-1-yl)-2-oxoethyl]-N-[3-(1-methyltetrazol-5-yl)phenyl]piperazine-1-carboxamide

C21H30N8O2 — CID 55699190

IUPAC4-[2-(azepan-1-yl)-2-oxoethyl]-N-[3-(1-methyltetrazol-5-yl)phenyl]piperazine-1-carboxamide
SMILESCn1nnnc1-c1cccc(NC(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)c1
InChIInChI=1S/C21H30N8O2/c1-26-20(23-24-25-26)17-7-6-8-18(15-17)22-21(31)29-13-11-27(12-14-29)16-19(30)28-9-4-2-3-5-10-28/h6-8,15H,2-5,9-14,16H2,1H3,(H,22,31)
InChIKeyNZUMCXHZDFHHQL-UHFFFAOYSA-N
MW426.53 g/mol
LogP1.43
Rot. Bonds4

About 4-[2-(azepan-1-yl)-2-oxoethyl]-N-[3-(1-methyltetrazol-5-yl)phenyl]piperazine-1-carboxamide

4-[2-(azepan-1-yl)-2-oxoethyl]-N-[3-(1-methyltetrazol-5-yl)phenyl]piperazine-1-carboxamide (PubChem CID 55699190) has the molecular formula C21H30N8O2 and a molecular weight of 426.53 g/mol. Its IUPAC name is 4-[2-(azepan-1-yl)-2-oxoethyl]-N-[3-(1-methyltetrazol-5-yl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(azepan-1-yl)-2-oxoethyl]-N-[3-(1-methyltetrazol-5-yl)phenyl]piperazine-1-carboxamide
PubChem CID55699190
Molecular FormulaC21H30N8O2
Molecular Weight426.53 g/mol
Exact Mass426.25
IUPAC Name4-[2-(azepan-1-yl)-2-oxoethyl]-N-[3-(1-methyltetrazol-5-yl)phenyl]piperazine-1-carboxamide
SMILESCn1nnnc1-c1cccc(NC(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)c1
InChIInChI=1S/C21H30N8O2/c1-26-20(23-24-25-26)17-7-6-8-18(15-17)22-21(31)29-13-11-27(12-14-29)16-19(30)28-9-4-2-3-5-10-28/h6-8,15H,2-5,9-14,16H2,1H3,(H,22,31)
InChIKeyNZUMCXHZDFHHQL-UHFFFAOYSA-N
XLogP1.43
TPSA99.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.53
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[2-(azepan-1-yl)-2-oxoethyl]-N-[3-(1-methyltetrazol-5-yl)phenyl]piperazine-1-carboxamide 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

1-N-[3-(1-methyltetrazol-5-yl)phenyl]-3-N-phenylpiperidine-1,3-dicarboxamide
CID 47033241
4-(diethylsulfamoyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]piperazine-1-carboxamide
CID 55698877
2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 34905400
N-[3-(1-methyltetrazol-5-yl)phenyl]-5-(piperidin-1-ylmethyl)-1,2-oxazole-3-carboxamide
CID 155950743
1-hydroxy-N-[3-(1-methyltetrazol-5-yl)phenyl]cyclopentane-1-carboxamide
CID 110907120
4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-N-(3-methylphenyl)piperazine-1-carboxamide
CID 25437306
N-[3-(1-methyltetrazol-5-yl)phenyl]but-2-enamide
CID 112723851
N-[3-(1-methyltetrazol-5-yl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 46422022
N-[3-(1-methyltetrazol-5-yl)phenyl]-2H-triazole-4-carboxamide
CID 112733195
(2R)-2-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide
CID 54991442
1-[(2R)-2-methylpiperidin-1-yl]-2-[3-(1-methyltetrazol-5-yl)anilino]ethanone
CID 32977217
N-[4-[[3-(1-methyltetrazol-5-yl)phenyl]carbamoylamino]phenyl]propanamide
CID 48783055

Frequently Asked Questions

What is the IUPAC name of 4-[2-(azepan-1-yl)-2-oxoethyl]-N-[3-(1-methyltetrazol-5-yl)phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-[2-(azepan-1-yl)-2-oxoethyl]-N-[3-(1-methyltetrazol-5-yl)phenyl]piperazine-1-carboxamide (CID 55699190) is 4-[2-(azepan-1-yl)-2-oxoethyl]-N-[3-(1-methyltetrazol-5-yl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[2-(azepan-1-yl)-2-oxoethyl]-N-[3-(1-methyltetrazol-5-yl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-[2-(azepan-1-yl)-2-oxoethyl]-N-[3-(1-methyltetrazol-5-yl)phenyl]piperazine-1-carboxamide is Cn1nnnc1-c1cccc(NC(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)c1.
What is the InChIKey of 4-[2-(azepan-1-yl)-2-oxoethyl]-N-[3-(1-methyltetrazol-5-yl)phenyl]piperazine-1-carboxamide?
The InChIKey is NZUMCXHZDFHHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N8O2/c1-26-20(23-24-25-26)17-7-6-8-18(15-17)22-21(31)29-13-11-27(12-14-29)16-19(30)28-9-4-2-3-5-10-28/h6-8,15H,2-5,9-14,16H2,1H3,(H,22,31).
What are the key properties of 4-[2-(azepan-1-yl)-2-oxoethyl]-N-[3-(1-methyltetrazol-5-yl)phenyl]piperazine-1-carboxamide?
4-[2-(azepan-1-yl)-2-oxoethyl]-N-[3-(1-methyltetrazol-5-yl)phenyl]piperazine-1-carboxamide has a molecular weight of 426.53 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(azepan-1-yl)-2-oxoethyl]-N-[3-(1-methyltetrazol-5-yl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 55699190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).