N-(3-methoxyphenyl)-4-(1-phenyltetrazol-5-yl)piperazine-1-carboxamide

C19H21N7O2 — CID 1455276

IUPACN-(3-methoxyphenyl)-4-(1-phenyltetrazol-5-yl)piperazine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCN(c3nnnn3-c3ccccc3)CC2)c1
InChIInChI=1S/C19H21N7O2/c1-28-17-9-5-6-15(14-17)20-19(27)25-12-10-24(11-13-25)18-21-22-23-26(18)16-7-3-2-4-8-16/h2-9,14H,10-13H2,1H3,(H,20,27)
InChIKeyYZDHKGFTEIWMIL-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.03
Rot. Bonds4

About N-(3-methoxyphenyl)-4-(1-phenyltetrazol-5-yl)piperazine-1-carboxamide

N-(3-methoxyphenyl)-4-(1-phenyltetrazol-5-yl)piperazine-1-carboxamide (PubChem CID 1455276) has the molecular formula C19H21N7O2 and a molecular weight of 379.42 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-4-(1-phenyltetrazol-5-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-4-(1-phenyltetrazol-5-yl)piperazine-1-carboxamide
PubChem CID1455276
Molecular FormulaC19H21N7O2
Molecular Weight379.42 g/mol
Exact Mass379.18
IUPAC NameN-(3-methoxyphenyl)-4-(1-phenyltetrazol-5-yl)piperazine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCN(c3nnnn3-c3ccccc3)CC2)c1
InChIInChI=1S/C19H21N7O2/c1-28-17-9-5-6-15(14-17)20-19(27)25-12-10-24(11-13-25)18-21-22-23-26(18)16-7-3-2-4-8-16/h2-9,14H,10-13H2,1H3,(H,20,27)
InChIKeyYZDHKGFTEIWMIL-UHFFFAOYSA-N
XLogP2.03
TPSA88.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-methoxyphenyl)-2-[3-(1H-tetraazol-1-yl)phenoxy]acetamide
CID 1140121
2-[1-(3-Methoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-phenethyl-acetamide
CID 651644
N-(3-Acetylamino-phenyl)-2-[1-(3-methoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetamide
CID 649509
N-(4-Acetylamino-phenyl)-2-[1-(3-methoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetamide
CID 1075026
1-(3-Methoxyphenyl)-3-[5-(2-methyl-1-piperidinyl)-1,3,4-thiadiazol-2-yl]urea
CID 3457780
N-Cyclohexyl-2-[1-(3-methoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetamide
CID 859381
2-[4-(4-Methoxy-phenyl)-piperazin-1-yl]-N-(4-tetrazol-1-yl-phenyl)-acetamide
CID 645888
1-[4-[4-(1-Phenyltetrazol-5-yl)oxyphenyl]piperazin-1-yl]ethanone
CID 2541756
1-{1-[1-(4-Fluoro-benzyl)-1H-tetrazol-5-ylmethyl]-piperidin-4-yl}-3-(3-methoxy-phenyl)-urea
CID 645133
1-{1-[1-(2-Methoxy-ethyl)-1H-tetrazol-5-ylmethyl]-piperidin-4-yl}-3-(3-methoxy-phenyl)-urea
CID 652506
N-Cyclopentyl-2-[1-(3-methoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetamide
CID 859382
2-[4-(2-methoxyphenyl)-1-piperazinyl]-N-[4-(1-tetrazolyl)phenyl]acetamide
CID 1439460

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-4-(1-phenyltetrazol-5-yl)piperazine-1-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-4-(1-phenyltetrazol-5-yl)piperazine-1-carboxamide (CID 1455276) is N-(3-methoxyphenyl)-4-(1-phenyltetrazol-5-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-4-(1-phenyltetrazol-5-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-4-(1-phenyltetrazol-5-yl)piperazine-1-carboxamide is COc1cccc(NC(=O)N2CCN(c3nnnn3-c3ccccc3)CC2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-4-(1-phenyltetrazol-5-yl)piperazine-1-carboxamide?
The InChIKey is YZDHKGFTEIWMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O2/c1-28-17-9-5-6-15(14-17)20-19(27)25-12-10-24(11-13-25)18-21-22-23-26(18)16-7-3-2-4-8-16/h2-9,14H,10-13H2,1H3,(H,20,27).
What are the key properties of N-(3-methoxyphenyl)-4-(1-phenyltetrazol-5-yl)piperazine-1-carboxamide?
N-(3-methoxyphenyl)-4-(1-phenyltetrazol-5-yl)piperazine-1-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-4-(1-phenyltetrazol-5-yl)piperazine-1-carboxamide is sourced from PubChem (CID 1455276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).