1-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone

C22H25N5O2 — CID 134813320

IUPAC1-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone
SMILESCOc1ccccc1CC1CCN(C(=O)Cn2nnc(-c3ccccc3)n2)CC1
InChIInChI=1S/C22H25N5O2/c1-29-20-10-6-5-9-19(20)15-17-11-13-26(14-12-17)21(28)16-27-24-22(23-25-27)18-7-3-2-4-8-18/h2-10,17H,11-16H2,1H3
InChIKeyWZOWFDVJKWIXRW-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.83
Rot. Bonds6

About 1-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone

1-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone (PubChem CID 134813320) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 1-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone.

Molecular Properties

Compound Name1-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone
PubChem CID134813320
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name1-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone
SMILESCOc1ccccc1CC1CCN(C(=O)Cn2nnc(-c3ccccc3)n2)CC1
InChIInChI=1S/C22H25N5O2/c1-29-20-10-6-5-9-19(20)15-17-11-13-26(14-12-17)21(28)16-27-24-22(23-25-27)18-7-3-2-4-8-18/h2-10,17H,11-16H2,1H3
InChIKeyWZOWFDVJKWIXRW-UHFFFAOYSA-N
XLogP2.83
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(methylaminomethyl)piperidin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone
CID 119545660
1-(4-benzylpiperidin-1-yl)-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone
CID 7465704
1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone
CID 56816775
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone
CID 119647165
1-pyrrolidin-1-yl-2-[5-(3,4,5-trimethoxyphenyl)tetrazol-2-yl]ethanone
CID 5299055
(2S)-N-[2-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]-2-oxoethyl]-2-methylbutanamide
CID 95278344
N-[(2-methoxyphenyl)methyl]-2-(5-pyridin-4-yltetrazol-2-yl)acetamide
CID 644968
1-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone
CID 46979749
(1-aminocyclopropyl)-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]methanone
CID 119769086
4-methyl-5-phenyl-3-[1-[2-(5-phenyltetrazol-2-yl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 3811548
4-amino-1-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]pentan-1-one;hydrochloride
CID 120562065
3-[(3R)-1-[2-(5-phenyltetrazol-2-yl)acetyl]piperidin-3-yl]propanoic acid
CID 124701783

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone?
The IUPAC name of 1-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone (CID 134813320) is 1-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone.
What is the SMILES notation for 1-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone?
The canonical SMILES for 1-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone is COc1ccccc1CC1CCN(C(=O)Cn2nnc(-c3ccccc3)n2)CC1.
What is the InChIKey of 1-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone?
The InChIKey is WZOWFDVJKWIXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-29-20-10-6-5-9-19(20)15-17-11-13-26(14-12-17)21(28)16-27-24-22(23-25-27)18-7-3-2-4-8-18/h2-10,17H,11-16H2,1H3.
What are the key properties of 1-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone?
1-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone has a molecular weight of 391.48 g/mol, XLogP of 2.83, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone is sourced from PubChem (CID 134813320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).