2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-1-(3-methylpiperidin-1-yl)ethanone

C18H24N6O — CID 134020158

IUPAC2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-1-(3-methylpiperidin-1-yl)ethanone
SMILESCC1CCCN(C(=O)CNc2cccc(-c3nnnn3C3CC3)c2)C1
InChIInChI=1S/C18H24N6O/c1-13-4-3-9-23(12-13)17(25)11-19-15-6-2-5-14(10-15)18-20-21-22-24(18)16-7-8-16/h2,5-6,10,13,16,19H,3-4,7-9,11-12H2,1H3
InChIKeyYXTDKOWGXWFWHQ-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.35
Rot. Bonds5

About 2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-1-(3-methylpiperidin-1-yl)ethanone

2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-1-(3-methylpiperidin-1-yl)ethanone (PubChem CID 134020158) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-1-(3-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-1-(3-methylpiperidin-1-yl)ethanone
PubChem CID134020158
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-1-(3-methylpiperidin-1-yl)ethanone
SMILESCC1CCCN(C(=O)CNc2cccc(-c3nnnn3C3CC3)c2)C1
InChIInChI=1S/C18H24N6O/c1-13-4-3-9-23(12-13)17(25)11-19-15-6-2-5-14(10-15)18-20-21-22-24(18)16-7-8-16/h2,5-6,10,13,16,19H,3-4,7-9,11-12H2,1H3
InChIKeyYXTDKOWGXWFWHQ-UHFFFAOYSA-N
XLogP2.35
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-1-(3-methylpiperidin-1-yl)ethanone with MolForge

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Related Compounds

N-carbamoyl-2-[3-(1-cyclopropyltetrazol-5-yl)anilino]acetamide
CID 25332248
2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-phenyl-N-propan-2-ylacetamide
CID 25332004
N-(2-cyano-3-methylbutan-2-yl)-2-[3-(1-cyclopropyltetrazol-5-yl)anilino]acetamide
CID 55560373
2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-(4-methoxyphenyl)acetamide
CID 134020154
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-methylpentanamide
CID 30047811
2-[4-(1-cyclopropyltetrazol-5-yl)anilino]-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone
CID 39998898
2-[4-(1-cyclopropyltetrazol-5-yl)anilino]-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone
CID 51934098
2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]acetamide;hydrochloride
CID 119276593
1-(3-methylpiperidin-1-yl)-2-[3-(trifluoromethyl)anilino]ethanone
CID 109006549
3-[3-(1-cyclopropyltetrazol-5-yl)anilino]-3-oxopropanoic acid
CID 62232063
1-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[2-(4-methylpiperidin-1-yl)propyl]urea
CID 51127008
1-[(2R)-2-methylpiperidin-1-yl]-2-[3-(1-methyltetrazol-5-yl)anilino]ethanone
CID 32977217

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-1-(3-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-1-(3-methylpiperidin-1-yl)ethanone (CID 134020158) is 2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-1-(3-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-1-(3-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-1-(3-methylpiperidin-1-yl)ethanone is CC1CCCN(C(=O)CNc2cccc(-c3nnnn3C3CC3)c2)C1.
What is the InChIKey of 2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-1-(3-methylpiperidin-1-yl)ethanone?
The InChIKey is YXTDKOWGXWFWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c1-13-4-3-9-23(12-13)17(25)11-19-15-6-2-5-14(10-15)18-20-21-22-24(18)16-7-8-16/h2,5-6,10,13,16,19H,3-4,7-9,11-12H2,1H3.
What are the key properties of 2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-1-(3-methylpiperidin-1-yl)ethanone?
2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-1-(3-methylpiperidin-1-yl)ethanone has a molecular weight of 340.43 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-1-(3-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 134020158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).