N-(4-methylphenyl)-4-(1-phenyltetrazol-5-yl)piperazine-1-carboxamide

C19H21N7O — CID 134790678

IUPACN-(4-methylphenyl)-4-(1-phenyltetrazol-5-yl)piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(c3nnnn3-c3ccccc3)CC2)cc1
InChIInChI=1S/C19H21N7O/c1-15-7-9-16(10-8-15)20-19(27)25-13-11-24(12-14-25)18-21-22-23-26(18)17-5-3-2-4-6-17/h2-10H,11-14H2,1H3,(H,20,27)
InChIKeyBRLZJEYEGQZYBZ-UHFFFAOYSA-N
MW363.43 g/mol
LogP2.32
Rot. Bonds3

About N-(4-methylphenyl)-4-(1-phenyltetrazol-5-yl)piperazine-1-carboxamide

N-(4-methylphenyl)-4-(1-phenyltetrazol-5-yl)piperazine-1-carboxamide (PubChem CID 134790678) has the molecular formula C19H21N7O and a molecular weight of 363.43 g/mol. Its IUPAC name is N-(4-methylphenyl)-4-(1-phenyltetrazol-5-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-4-(1-phenyltetrazol-5-yl)piperazine-1-carboxamide
PubChem CID134790678
Molecular FormulaC19H21N7O
Molecular Weight363.43 g/mol
Exact Mass363.18
IUPAC NameN-(4-methylphenyl)-4-(1-phenyltetrazol-5-yl)piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(c3nnnn3-c3ccccc3)CC2)cc1
InChIInChI=1S/C19H21N7O/c1-15-7-9-16(10-8-15)20-19(27)25-13-11-24(12-14-25)18-21-22-23-26(18)17-5-3-2-4-6-17/h2-10H,11-14H2,1H3,(H,20,27)
InChIKeyBRLZJEYEGQZYBZ-UHFFFAOYSA-N
XLogP2.32
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-methylphenyl)-4-(1-phenyltetrazol-5-yl)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

4-(3-methylphenyl)-N-[4-(5-methyltetrazol-1-yl)phenyl]piperazine-1-carboxamide
CID 118761754
N-(4-tert-butylphenyl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]acetamide
CID 33451759
1-[3-methyl-1-oxo-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]butan-2-yl]-3-phenylurea
CID 56523114
N,4-bis(4-methylphenyl)piperazine-1-carboxamide
CID 113111254
2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 55601224
1-N,4-N-bis(4-methylphenyl)piperazine-1,4-dicarboxamide
CID 4055899
N-(4-methylsulfonylphenyl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]acetamide
CID 55601214
morpholin-4-yl-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone
CID 17493615
4-(4-methylphenyl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide
CID 113111310
(3-methyl-1,2-oxazol-5-yl)-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone
CID 43073604
2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propanoic acid
CID 119924398
(2-bromophenyl)-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone
CID 2243329

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-4-(1-phenyltetrazol-5-yl)piperazine-1-carboxamide?
The IUPAC name of N-(4-methylphenyl)-4-(1-phenyltetrazol-5-yl)piperazine-1-carboxamide (CID 134790678) is N-(4-methylphenyl)-4-(1-phenyltetrazol-5-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-4-(1-phenyltetrazol-5-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-4-(1-phenyltetrazol-5-yl)piperazine-1-carboxamide is Cc1ccc(NC(=O)N2CCN(c3nnnn3-c3ccccc3)CC2)cc1.
What is the InChIKey of N-(4-methylphenyl)-4-(1-phenyltetrazol-5-yl)piperazine-1-carboxamide?
The InChIKey is BRLZJEYEGQZYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O/c1-15-7-9-16(10-8-15)20-19(27)25-13-11-24(12-14-25)18-21-22-23-26(18)17-5-3-2-4-6-17/h2-10H,11-14H2,1H3,(H,20,27).
What are the key properties of N-(4-methylphenyl)-4-(1-phenyltetrazol-5-yl)piperazine-1-carboxamide?
N-(4-methylphenyl)-4-(1-phenyltetrazol-5-yl)piperazine-1-carboxamide has a molecular weight of 363.43 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-4-(1-phenyltetrazol-5-yl)piperazine-1-carboxamide is sourced from PubChem (CID 134790678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).