2-(benzotriazol-2-yl)-N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]acetamide

C19H22N6O — CID 91779081

IUPAC2-(benzotriazol-2-yl)-N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]acetamide
SMILESO=C(Cn1nc2ccccc2n1)NCC1CCCN(c2ccccn2)C1
InChIInChI=1S/C19H22N6O/c26-19(14-25-22-16-7-1-2-8-17(16)23-25)21-12-15-6-5-11-24(13-15)18-9-3-4-10-20-18/h1-4,7-10,15H,5-6,11-14H2,(H,21,26)
InChIKeyLLYPOMBKLSVSKR-UHFFFAOYSA-N
MW350.43 g/mol
LogP1.86
Rot. Bonds5

About 2-(benzotriazol-2-yl)-N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]acetamide

2-(benzotriazol-2-yl)-N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]acetamide (PubChem CID 91779081) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 2-(benzotriazol-2-yl)-N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(benzotriazol-2-yl)-N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]acetamide
PubChem CID91779081
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name2-(benzotriazol-2-yl)-N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]acetamide
SMILESO=C(Cn1nc2ccccc2n1)NCC1CCCN(c2ccccn2)C1
InChIInChI=1S/C19H22N6O/c26-19(14-25-22-16-7-1-2-8-17(16)23-25)21-12-15-6-5-11-24(13-15)18-9-3-4-10-20-18/h1-4,7-10,15H,5-6,11-14H2,(H,21,26)
InChIKeyLLYPOMBKLSVSKR-UHFFFAOYSA-N
XLogP1.86
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 91789394
3-(methanesulfonamido)-N-[[(3R)-1-pyridin-2-ylpiperidin-3-yl]methyl]propanamide
CID 124749653
N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
CID 91760004
1-(2-methoxyacetyl)-N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]piperidine-4-carboxamide
CID 72923083
6-cyano-N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]pyridine-3-carboxamide
CID 91844279
3-phenyl-N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]pyrazolidine-4-carboxamide
CID 134081045
6-cyano-N-[[(3S)-1-pyridin-2-ylpiperidin-3-yl]methyl]pyridine-3-carboxamide
CID 124752431
1-methyl-2,4-dioxo-N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]pyrimidine-5-carboxamide
CID 90648225
1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-3-[[(3R)-1-pyridin-2-ylpiperidin-3-yl]methyl]urea
CID 97444185
1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-3-[[(3S)-1-pyridin-2-ylpiperidin-3-yl]methyl]urea
CID 97444186
N-(cyclohexylmethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 4030737
N-[[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]methyl]pyridine-2-carboxamide
CID 137205321

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-2-yl)-N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]acetamide?
The IUPAC name of 2-(benzotriazol-2-yl)-N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]acetamide (CID 91779081) is 2-(benzotriazol-2-yl)-N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(benzotriazol-2-yl)-N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]acetamide?
The canonical SMILES for 2-(benzotriazol-2-yl)-N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]acetamide is O=C(Cn1nc2ccccc2n1)NCC1CCCN(c2ccccn2)C1.
What is the InChIKey of 2-(benzotriazol-2-yl)-N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]acetamide?
The InChIKey is LLYPOMBKLSVSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c26-19(14-25-22-16-7-1-2-8-17(16)23-25)21-12-15-6-5-11-24(13-15)18-9-3-4-10-20-18/h1-4,7-10,15H,5-6,11-14H2,(H,21,26).
What are the key properties of 2-(benzotriazol-2-yl)-N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]acetamide?
2-(benzotriazol-2-yl)-N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]acetamide has a molecular weight of 350.43 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-2-yl)-N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]acetamide is sourced from PubChem (CID 91779081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).