1-[3-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]piperidin-1-yl]-2-(2-methoxyphenyl)ethanone

C20H28N6O2 — CID 154788161

IUPAC1-[3-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1CC(=O)N1CCCC(N(C)Cc2nnnn2C2CC2)C1
InChIInChI=1S/C20H28N6O2/c1-24(14-19-21-22-23-26(19)16-9-10-16)17-7-5-11-25(13-17)20(27)12-15-6-3-4-8-18(15)28-2/h3-4,6,8,16-17H,5,7,9-14H2,1-2H3
InChIKeyQLYWULBGHCPIPE-UHFFFAOYSA-N
MW384.48 g/mol
LogP1.68
Rot. Bonds7

About 1-[3-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]piperidin-1-yl]-2-(2-methoxyphenyl)ethanone

1-[3-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]piperidin-1-yl]-2-(2-methoxyphenyl)ethanone (PubChem CID 154788161) has the molecular formula C20H28N6O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 1-[3-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]piperidin-1-yl]-2-(2-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-[3-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
PubChem CID154788161
Molecular FormulaC20H28N6O2
Molecular Weight384.48 g/mol
Exact Mass384.23
IUPAC Name1-[3-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1CC(=O)N1CCCC(N(C)Cc2nnnn2C2CC2)C1
InChIInChI=1S/C20H28N6O2/c1-24(14-19-21-22-23-26(19)16-9-10-16)17-7-5-11-25(13-17)20(27)12-15-6-3-4-8-18(15)28-2/h3-4,6,8,16-17H,5,7,9-14H2,1-2H3
InChIKeyQLYWULBGHCPIPE-UHFFFAOYSA-N
XLogP1.68
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[3-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]piperidin-1-yl]-2-(2-methoxyphenyl)ethanone with MolForge

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Related Compounds

N-cyclopropyl-2-(2-methoxyphenyl)-N-[(3S)-1-[2-(2-methoxyphenyl)acetyl]pyrrolidin-3-yl]acetamide
CID 97237972
N-(1-acetylpiperidin-3-yl)-2-(2-methoxyphenyl)-N-methylacetamide
CID 154878066
2-(2-methoxyphenyl)-1-[(3S)-3-pyrrolidin-1-ylazepan-1-yl]ethanone
CID 95616146
2-(2-methoxyphenyl)-1-[(3R)-3-pyrrolidin-1-ylazepan-1-yl]ethanone
CID 95616147
1-[(3S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 95736870
1-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 95978642
1-[3-(2-aminoethyl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 63765744
N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-[(2-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 97189206
3-[(3S)-1-[2-(2-methoxyphenyl)acetyl]piperidin-3-yl]propanoic acid
CID 124685255
2-(2-methoxyphenyl)-1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 175652372
1-[3-(dimethylamino)piperidin-1-yl]-2-(2-hydroxyphenyl)ethanone
CID 78946629
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 81469940

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]piperidin-1-yl]-2-(2-methoxyphenyl)ethanone?
The IUPAC name of 1-[3-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]piperidin-1-yl]-2-(2-methoxyphenyl)ethanone (CID 154788161) is 1-[3-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]piperidin-1-yl]-2-(2-methoxyphenyl)ethanone.
What is the SMILES notation for 1-[3-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]piperidin-1-yl]-2-(2-methoxyphenyl)ethanone?
The canonical SMILES for 1-[3-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]piperidin-1-yl]-2-(2-methoxyphenyl)ethanone is COc1ccccc1CC(=O)N1CCCC(N(C)Cc2nnnn2C2CC2)C1.
What is the InChIKey of 1-[3-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]piperidin-1-yl]-2-(2-methoxyphenyl)ethanone?
The InChIKey is QLYWULBGHCPIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O2/c1-24(14-19-21-22-23-26(19)16-9-10-16)17-7-5-11-25(13-17)20(27)12-15-6-3-4-8-18(15)28-2/h3-4,6,8,16-17H,5,7,9-14H2,1-2H3.
What are the key properties of 1-[3-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]piperidin-1-yl]-2-(2-methoxyphenyl)ethanone?
1-[3-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]piperidin-1-yl]-2-(2-methoxyphenyl)ethanone has a molecular weight of 384.48 g/mol, XLogP of 1.68, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]piperidin-1-yl]-2-(2-methoxyphenyl)ethanone is sourced from PubChem (CID 154788161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).