1-piperidin-1-yl-2-[5-(4-propoxyphenyl)tetrazol-2-yl]ethanone

C17H23N5O2 — CID 3170932

IUPAC1-piperidin-1-yl-2-[5-(4-propoxyphenyl)tetrazol-2-yl]ethanone
SMILESCCCOc1ccc(-c2nnn(CC(=O)N3CCCCC3)n2)cc1
InChIInChI=1S/C17H23N5O2/c1-2-12-24-15-8-6-14(7-9-15)17-18-20-22(19-17)13-16(23)21-10-4-3-5-11-21/h6-9H,2-5,10-13H2,1H3
InChIKeyGQBSEIWMRODMBU-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.14
Rot. Bonds6

About 1-piperidin-1-yl-2-[5-(4-propoxyphenyl)tetrazol-2-yl]ethanone

1-piperidin-1-yl-2-[5-(4-propoxyphenyl)tetrazol-2-yl]ethanone (PubChem CID 3170932) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-piperidin-1-yl-2-[5-(4-propoxyphenyl)tetrazol-2-yl]ethanone.

Molecular Properties

Compound Name1-piperidin-1-yl-2-[5-(4-propoxyphenyl)tetrazol-2-yl]ethanone
PubChem CID3170932
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name1-piperidin-1-yl-2-[5-(4-propoxyphenyl)tetrazol-2-yl]ethanone
SMILESCCCOc1ccc(-c2nnn(CC(=O)N3CCCCC3)n2)cc1
InChIInChI=1S/C17H23N5O2/c1-2-12-24-15-8-6-14(7-9-15)17-18-20-22(19-17)13-16(23)21-10-4-3-5-11-21/h6-9H,2-5,10-13H2,1H3
InChIKeyGQBSEIWMRODMBU-UHFFFAOYSA-N
XLogP2.14
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(4-fluorophenyl)tetrazol-2-yl]-1-piperidin-1-ylethanone
CID 744261
2-[5-(4-butoxyphenyl)tetrazol-2-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 3136446
1-piperidin-1-yl-2-(4-propoxyphenoxy)ethanone
CID 4732677
2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-1-pyrrolidin-1-ylethanone
CID 861127
1-pyrrolidin-1-yl-2-[5-(3,4,5-trimethoxyphenyl)tetrazol-2-yl]ethanone
CID 5299055
2-(5-pyridin-3-yltetrazol-2-yl)-1-pyrrolidin-1-ylethanone
CID 860955
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone
CID 119647165
2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-[(4-propoxyphenyl)methyl]acetamide
CID 78899254
2-[5-(4-fluorophenyl)tetrazol-2-yl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 7257545
[2-(azocan-1-yl)-2-oxoethyl] 2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetate
CID 8678145
4-[5-(4-pentoxyphenyl)tetrazol-2-yl]butanoic acid
CID 135209195
4-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-N-ethylpiperazine-1-carboxamide
CID 78819339

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-2-[5-(4-propoxyphenyl)tetrazol-2-yl]ethanone?
The IUPAC name of 1-piperidin-1-yl-2-[5-(4-propoxyphenyl)tetrazol-2-yl]ethanone (CID 3170932) is 1-piperidin-1-yl-2-[5-(4-propoxyphenyl)tetrazol-2-yl]ethanone.
What is the SMILES notation for 1-piperidin-1-yl-2-[5-(4-propoxyphenyl)tetrazol-2-yl]ethanone?
The canonical SMILES for 1-piperidin-1-yl-2-[5-(4-propoxyphenyl)tetrazol-2-yl]ethanone is CCCOc1ccc(-c2nnn(CC(=O)N3CCCCC3)n2)cc1.
What is the InChIKey of 1-piperidin-1-yl-2-[5-(4-propoxyphenyl)tetrazol-2-yl]ethanone?
The InChIKey is GQBSEIWMRODMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-2-12-24-15-8-6-14(7-9-15)17-18-20-22(19-17)13-16(23)21-10-4-3-5-11-21/h6-9H,2-5,10-13H2,1H3.
What are the key properties of 1-piperidin-1-yl-2-[5-(4-propoxyphenyl)tetrazol-2-yl]ethanone?
1-piperidin-1-yl-2-[5-(4-propoxyphenyl)tetrazol-2-yl]ethanone has a molecular weight of 329.40 g/mol, XLogP of 2.14, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-2-[5-(4-propoxyphenyl)tetrazol-2-yl]ethanone is sourced from PubChem (CID 3170932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).