1-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone

C19H28N6O — CID 46979749

IUPAC1-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone
SMILESCc1ccc(-c2nnn(CC(=O)N3CCC(CCN(C)C)CC3)n2)cc1
InChIInChI=1S/C19H28N6O/c1-15-4-6-17(7-5-15)19-20-22-25(21-19)14-18(26)24-12-9-16(10-13-24)8-11-23(2)3/h4-7,16H,8-14H2,1-3H3
InChIKeyFEVMWSGBZVVMHT-UHFFFAOYSA-N
MW356.47 g/mol
LogP1.84
Rot. Bonds6

About 1-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone

1-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone (PubChem CID 46979749) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone
PubChem CID46979749
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC Name1-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone
SMILESCc1ccc(-c2nnn(CC(=O)N3CCC(CCN(C)C)CC3)n2)cc1
InChIInChI=1S/C19H28N6O/c1-15-4-6-17(7-5-15)19-20-22-25(21-19)14-18(26)24-12-9-16(10-13-24)8-11-23(2)3/h4-7,16H,8-14H2,1-3H3
InChIKeyFEVMWSGBZVVMHT-UHFFFAOYSA-N
XLogP1.84
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(ethylaminomethyl)piperidin-1-yl]-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone
CID 119647165
1-(4-benzylpiperidin-1-yl)-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone
CID 7465704
1-[4-(methylaminomethyl)piperidin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone
CID 119545660
N-tert-butyl-2-[4-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]piperazin-1-yl]acetamide
CID 9119546
1-(4-methylpiperidin-1-yl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]ethanone
CID 860141
1-[(4S)-4-aminoazepan-1-yl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]ethanone
CID 95723061
(2R)-1-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]pyrrolidine-2-carboxylic acid
CID 119370606
1-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone
CID 134813320
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]ethanone
CID 120818609
2-[5-(4-methylphenyl)tetrazol-2-yl]acetic acid
CID 701825
1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone
CID 56816775
2-[5-(4-fluorophenyl)tetrazol-2-yl]-1-piperidin-1-ylethanone
CID 744261

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone?
The IUPAC name of 1-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone (CID 46979749) is 1-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone.
What is the SMILES notation for 1-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone?
The canonical SMILES for 1-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone is Cc1ccc(-c2nnn(CC(=O)N3CCC(CCN(C)C)CC3)n2)cc1.
What is the InChIKey of 1-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone?
The InChIKey is FEVMWSGBZVVMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O/c1-15-4-6-17(7-5-15)19-20-22-25(21-19)14-18(26)24-12-9-16(10-13-24)8-11-23(2)3/h4-7,16H,8-14H2,1-3H3.
What are the key properties of 1-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone?
1-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone has a molecular weight of 356.47 g/mol, XLogP of 1.84, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone is sourced from PubChem (CID 46979749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).