1-(4-benzylpiperidin-1-yl)-2-[(1-cyclopropyltetrazol-5-yl)methylsulfonyl]ethanone

C19H25N5O3S — CID 78852565

IUPAC1-(4-benzylpiperidin-1-yl)-2-[(1-cyclopropyltetrazol-5-yl)methylsulfonyl]ethanone
SMILESO=C(CS(=O)(=O)Cc1nnnn1C1CC1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C19H25N5O3S/c25-19(14-28(26,27)13-18-20-21-22-24(18)17-6-7-17)23-10-8-16(9-11-23)12-15-4-2-1-3-5-15/h1-5,16-17H,6-14H2
InChIKeySLSLCJNCOOWPPF-UHFFFAOYSA-N
MW403.51 g/mol
LogP1.40
Rot. Bonds7

About 1-(4-benzylpiperidin-1-yl)-2-[(1-cyclopropyltetrazol-5-yl)methylsulfonyl]ethanone

1-(4-benzylpiperidin-1-yl)-2-[(1-cyclopropyltetrazol-5-yl)methylsulfonyl]ethanone (PubChem CID 78852565) has the molecular formula C19H25N5O3S and a molecular weight of 403.51 g/mol. Its IUPAC name is 1-(4-benzylpiperidin-1-yl)-2-[(1-cyclopropyltetrazol-5-yl)methylsulfonyl]ethanone.

Molecular Properties

Compound Name1-(4-benzylpiperidin-1-yl)-2-[(1-cyclopropyltetrazol-5-yl)methylsulfonyl]ethanone
PubChem CID78852565
Molecular FormulaC19H25N5O3S
Molecular Weight403.51 g/mol
Exact Mass403.17
IUPAC Name1-(4-benzylpiperidin-1-yl)-2-[(1-cyclopropyltetrazol-5-yl)methylsulfonyl]ethanone
SMILESO=C(CS(=O)(=O)Cc1nnnn1C1CC1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C19H25N5O3S/c25-19(14-28(26,27)13-18-20-21-22-24(18)17-6-7-17)23-10-8-16(9-11-23)12-15-4-2-1-3-5-15/h1-5,16-17H,6-14H2
InChIKeySLSLCJNCOOWPPF-UHFFFAOYSA-N
XLogP1.40
TPSA98.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-benzylpiperidin-1-yl)-2-[[2-(trifluoromethyl)phenyl]methylsulfonyl]ethanone
CID 78852439
1-(4-benzylpiperidin-1-yl)-2-(3-phenylpropylsulfonyl)ethanone
CID 55466903
5-(4-benzylpiperidin-1-yl)-5-oxopentanoic acid
CID 4305990
1-(4-benzylpiperidin-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108942003
(2R)-1-(4-benzylpiperidin-1-yl)-2-(1-cyclohexyltetrazol-5-yl)sulfanylpropan-1-one
CID 27047728
1-(4-benzylpiperidin-1-yl)-2-cyclopentylethanone
CID 127122886
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]ethanesulfonamide
CID 112995482
1-(4-benzylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)propane-1,3-dione
CID 108942755
1-(4-benzylpiperidin-1-yl)-2-(3-hydroxy-2,2-dimethylpyrrolidin-1-yl)ethanone
CID 136544103
1-(4-acetylpiperazin-1-yl)-2-(4-benzylpiperidin-1-yl)ethanone
CID 46157809
1-(4-benzylpiperidin-1-yl)-2-[2-[2-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]ethoxy]ethoxy]ethanone
CID 21053636
2-phenyl-1-[4-[(4-phenylphenyl)methyl]piperidin-1-yl]ethanone
CID 24720516

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperidin-1-yl)-2-[(1-cyclopropyltetrazol-5-yl)methylsulfonyl]ethanone?
The IUPAC name of 1-(4-benzylpiperidin-1-yl)-2-[(1-cyclopropyltetrazol-5-yl)methylsulfonyl]ethanone (CID 78852565) is 1-(4-benzylpiperidin-1-yl)-2-[(1-cyclopropyltetrazol-5-yl)methylsulfonyl]ethanone.
What is the SMILES notation for 1-(4-benzylpiperidin-1-yl)-2-[(1-cyclopropyltetrazol-5-yl)methylsulfonyl]ethanone?
The canonical SMILES for 1-(4-benzylpiperidin-1-yl)-2-[(1-cyclopropyltetrazol-5-yl)methylsulfonyl]ethanone is O=C(CS(=O)(=O)Cc1nnnn1C1CC1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 1-(4-benzylpiperidin-1-yl)-2-[(1-cyclopropyltetrazol-5-yl)methylsulfonyl]ethanone?
The InChIKey is SLSLCJNCOOWPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3S/c25-19(14-28(26,27)13-18-20-21-22-24(18)17-6-7-17)23-10-8-16(9-11-23)12-15-4-2-1-3-5-15/h1-5,16-17H,6-14H2.
What are the key properties of 1-(4-benzylpiperidin-1-yl)-2-[(1-cyclopropyltetrazol-5-yl)methylsulfonyl]ethanone?
1-(4-benzylpiperidin-1-yl)-2-[(1-cyclopropyltetrazol-5-yl)methylsulfonyl]ethanone has a molecular weight of 403.51 g/mol, XLogP of 1.40, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperidin-1-yl)-2-[(1-cyclopropyltetrazol-5-yl)methylsulfonyl]ethanone is sourced from PubChem (CID 78852565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).