1-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]propyl]-4-[(E)-3-phenylprop-2-enyl]piperazine

C24H30N6O — CID 51360425

IUPAC1-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]propyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
SMILESCCC(c1nnnn1-c1ccc(OC)cc1)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C24H30N6O/c1-3-23(24-25-26-27-30(24)21-11-13-22(31-2)14-12-21)29-18-16-28(17-19-29)15-7-10-20-8-5-4-6-9-20/h4-14,23H,3,15-19H2,1-2H3/b10-7+
InChIKeyCLUOWFGITNNGJI-JXMROGBWSA-N
MW418.55 g/mol
LogP3.45
Rot. Bonds8

About 1-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]propyl]-4-[(E)-3-phenylprop-2-enyl]piperazine

1-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]propyl]-4-[(E)-3-phenylprop-2-enyl]piperazine (PubChem CID 51360425) has the molecular formula C24H30N6O and a molecular weight of 418.55 g/mol. Its IUPAC name is 1-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]propyl]-4-[(E)-3-phenylprop-2-enyl]piperazine.

Molecular Properties

Compound Name1-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]propyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
PubChem CID51360425
Molecular FormulaC24H30N6O
Molecular Weight418.55 g/mol
Exact Mass418.25
IUPAC Name1-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]propyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
SMILESCCC(c1nnnn1-c1ccc(OC)cc1)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C24H30N6O/c1-3-23(24-25-26-27-30(24)21-11-13-22(31-2)14-12-21)29-18-16-28(17-19-29)15-7-10-20-8-5-4-6-9-20/h4-14,23H,3,15-19H2,1-2H3/b10-7+
InChIKeyCLUOWFGITNNGJI-JXMROGBWSA-N
XLogP3.45
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.55
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

Vofopitant
CID 6918331
Vofopitant Dihydrochloride
CID 6918330
(2-Methoxy-5-tetrazol-1-ylbenzyl)(2-phenylpiperidin-3-yl)amine
CID 127943
(18F)Spa-RQ
CID 6914513
(2S,3S)-N-[[2-methoxy-5-(tetrazol-1-yl)phenyl]methyl]-2-phenylpiperidin-3-amine
CID 127944
3-(dimethylamino)-2-[1-(4-methoxyphenyl)-1H-1,2,3,4-tetraazol-5-yl]-1-phenylprop-2-en-1-one
CID 2825455
1-{1-[1-(4-Methoxy-benzyl)-1H-tetrazol-5-yl]-butyl}-4-(2-methoxy-phenyl)-piperazine
CID 646026
(2S,3S)-3-[[2-methoxy-5-(5-methyltetrazol-1-yl)phenyl]methoxy]-2-phenylpiperidine
CID 122182822
1-(4-methoxyphenyl)-N,N-dimethyl-5-phenyl-1,2,4-triazole-3-carboxamide
CID 6473372
1-(1-(4-methoxyphenyl)-1H-tetrazol-5-yl)-2,3,3-trimethyl-1,2,3,4-tetrahydroisoquinoline
CID 4519665
1-(4-methoxyphenyl)-5-phenyl-1H-tetrazole
CID 759777
4-((2-Methoxy-5-(5-methyl-1H-tetrazol-1-yl)benzyloxy)methyl)-4-phenylpiperidine
CID 58993640

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]propyl]-4-[(E)-3-phenylprop-2-enyl]piperazine?
The IUPAC name of 1-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]propyl]-4-[(E)-3-phenylprop-2-enyl]piperazine (CID 51360425) is 1-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]propyl]-4-[(E)-3-phenylprop-2-enyl]piperazine.
What is the SMILES notation for 1-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]propyl]-4-[(E)-3-phenylprop-2-enyl]piperazine?
The canonical SMILES for 1-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]propyl]-4-[(E)-3-phenylprop-2-enyl]piperazine is CCC(c1nnnn1-c1ccc(OC)cc1)N1CCN(C/C=C/c2ccccc2)CC1.
What is the InChIKey of 1-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]propyl]-4-[(E)-3-phenylprop-2-enyl]piperazine?
The InChIKey is CLUOWFGITNNGJI-JXMROGBWSA-N. The full InChI is InChI=1S/C24H30N6O/c1-3-23(24-25-26-27-30(24)21-11-13-22(31-2)14-12-21)29-18-16-28(17-19-29)15-7-10-20-8-5-4-6-9-20/h4-14,23H,3,15-19H2,1-2H3/b10-7+.
What are the key properties of 1-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]propyl]-4-[(E)-3-phenylprop-2-enyl]piperazine?
1-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]propyl]-4-[(E)-3-phenylprop-2-enyl]piperazine has a molecular weight of 418.55 g/mol, XLogP of 3.45, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]propyl]-4-[(E)-3-phenylprop-2-enyl]piperazine is sourced from PubChem (CID 51360425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).