N-[2-(4-methoxyphenyl)ethyl]-4-[(1-phenyltetrazol-5-yl)methyl]piperazine-1-carboxamide

C22H27N7O2 — CID 30858611

IUPACN-[2-(4-methoxyphenyl)ethyl]-4-[(1-phenyltetrazol-5-yl)methyl]piperazine-1-carboxamide
SMILESCOc1ccc(CCNC(=O)N2CCN(Cc3nnnn3-c3ccccc3)CC2)cc1
InChIInChI=1S/C22H27N7O2/c1-31-20-9-7-18(8-10-20)11-12-23-22(30)28-15-13-27(14-16-28)17-21-24-25-26-29(21)19-5-3-2-4-6-19/h2-10H,11-17H2,1H3,(H,23,30)
InChIKeySLNFVFZECGBLBR-UHFFFAOYSA-N
MW421.51 g/mol
LogP1.74
Rot. Bonds7

About N-[2-(4-methoxyphenyl)ethyl]-4-[(1-phenyltetrazol-5-yl)methyl]piperazine-1-carboxamide

N-[2-(4-methoxyphenyl)ethyl]-4-[(1-phenyltetrazol-5-yl)methyl]piperazine-1-carboxamide (PubChem CID 30858611) has the molecular formula C22H27N7O2 and a molecular weight of 421.51 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-4-[(1-phenyltetrazol-5-yl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-4-[(1-phenyltetrazol-5-yl)methyl]piperazine-1-carboxamide
PubChem CID30858611
Molecular FormulaC22H27N7O2
Molecular Weight421.51 g/mol
Exact Mass421.22
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-4-[(1-phenyltetrazol-5-yl)methyl]piperazine-1-carboxamide
SMILESCOc1ccc(CCNC(=O)N2CCN(Cc3nnnn3-c3ccccc3)CC2)cc1
InChIInChI=1S/C22H27N7O2/c1-31-20-9-7-18(8-10-20)11-12-23-22(30)28-15-13-27(14-16-28)17-21-24-25-26-29(21)19-5-3-2-4-6-19/h2-10H,11-17H2,1H3,(H,23,30)
InChIKeySLNFVFZECGBLBR-UHFFFAOYSA-N
XLogP1.74
TPSA88.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.51
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 29340252
ethyl 3-[[4-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]piperazine-1-carbonyl]amino]propanoate
CID 29340628
N-[2-(4-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine-1-carboxamide
CID 35961140
N-(4-ethoxyphenyl)-4-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]piperazine-1-carboxamide
CID 30858692
4-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
CID 29340627
2-(3-methoxyphenoxy)-1-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]ethanone
CID 30936275
N,N-dimethyl-4-[(1-phenyltetrazol-5-yl)methyl]piperazine-1-carboxamide
CID 37206138
N-[(3,4-dimethoxyphenyl)methyl]-4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazine-1-carboxamide
CID 29340322
(4-methoxyphenyl)-[4-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone
CID 30937802
N-[(3,4-dimethoxyphenyl)methyl]-4-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]piperazine-1-carboxamide
CID 29340397
4-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-N-(naphthalen-1-ylmethyl)piperazine-1-carboxamide
CID 29340715
(4-fluorophenyl)-[4-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone
CID 30938400

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-4-[(1-phenyltetrazol-5-yl)methyl]piperazine-1-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-4-[(1-phenyltetrazol-5-yl)methyl]piperazine-1-carboxamide (CID 30858611) is N-[2-(4-methoxyphenyl)ethyl]-4-[(1-phenyltetrazol-5-yl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-4-[(1-phenyltetrazol-5-yl)methyl]piperazine-1-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-4-[(1-phenyltetrazol-5-yl)methyl]piperazine-1-carboxamide is COc1ccc(CCNC(=O)N2CCN(Cc3nnnn3-c3ccccc3)CC2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-4-[(1-phenyltetrazol-5-yl)methyl]piperazine-1-carboxamide?
The InChIKey is SLNFVFZECGBLBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7O2/c1-31-20-9-7-18(8-10-20)11-12-23-22(30)28-15-13-27(14-16-28)17-21-24-25-26-29(21)19-5-3-2-4-6-19/h2-10H,11-17H2,1H3,(H,23,30).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-4-[(1-phenyltetrazol-5-yl)methyl]piperazine-1-carboxamide?
N-[2-(4-methoxyphenyl)ethyl]-4-[(1-phenyltetrazol-5-yl)methyl]piperazine-1-carboxamide has a molecular weight of 421.51 g/mol, XLogP of 1.74, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-4-[(1-phenyltetrazol-5-yl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 30858611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).