2-[[(3R,6R)-1-[4-methoxy-2-(triazol-2-yl)benzoyl]-6-methylpiperidin-3-yl]methoxy]-3-methylpyridine-4-carbonitrile

C24H26N6O3 — CID 144616240

IUPAC2-[[(3R,6R)-1-[4-methoxy-2-(triazol-2-yl)benzoyl]-6-methylpiperidin-3-yl]methoxy]-3-methylpyridine-4-carbonitrile
SMILESCOc1ccc(C(=O)N2C[C@H](COc3nccc(C#N)c3C)CC[C@H]2C)c(-n2nccn2)c1
InChIInChI=1S/C24H26N6O3/c1-16-4-5-18(15-33-23-17(2)19(13-25)8-9-26-23)14-29(16)24(31)21-7-6-20(32-3)12-22(21)30-27-10-11-28-30/h6-12,16,18H,4-5,14-15H2,1-3H3/t16-,18-/m1/s1
InChIKeyLTVGIVLMBCCHBT-SJLPKXTDSA-N
MW446.51 g/mol
LogP3.17
Rot. Bonds6

About 2-[[(3R,6R)-1-[4-methoxy-2-(triazol-2-yl)benzoyl]-6-methylpiperidin-3-yl]methoxy]-3-methylpyridine-4-carbonitrile

2-[[(3R,6R)-1-[4-methoxy-2-(triazol-2-yl)benzoyl]-6-methylpiperidin-3-yl]methoxy]-3-methylpyridine-4-carbonitrile (PubChem CID 144616240) has the molecular formula C24H26N6O3 and a molecular weight of 446.51 g/mol. Its IUPAC name is 2-[[(3R,6R)-1-[4-methoxy-2-(triazol-2-yl)benzoyl]-6-methylpiperidin-3-yl]methoxy]-3-methylpyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[[(3R,6R)-1-[4-methoxy-2-(triazol-2-yl)benzoyl]-6-methylpiperidin-3-yl]methoxy]-3-methylpyridine-4-carbonitrile
PubChem CID144616240
Molecular FormulaC24H26N6O3
Molecular Weight446.51 g/mol
Exact Mass446.21
IUPAC Name2-[[(3R,6R)-1-[4-methoxy-2-(triazol-2-yl)benzoyl]-6-methylpiperidin-3-yl]methoxy]-3-methylpyridine-4-carbonitrile
SMILESCOc1ccc(C(=O)N2C[C@H](COc3nccc(C#N)c3C)CC[C@H]2C)c(-n2nccn2)c1
InChIInChI=1S/C24H26N6O3/c1-16-4-5-18(15-33-23-17(2)19(13-25)8-9-26-23)14-29(16)24(31)21-7-6-20(32-3)12-22(21)30-27-10-11-28-30/h6-12,16,18H,4-5,14-15H2,1-3H3/t16-,18-/m1/s1
InChIKeyLTVGIVLMBCCHBT-SJLPKXTDSA-N
XLogP3.17
TPSA106.16 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Launch Full Analysis

Related Compounds

2-[1-[4-methoxy-2-(triazol-2-yl)benzoyl]-6-methylpiperidin-3-yl]oxy-4-methylpyridine-3-carbonitrile
CID 123353296
2-[(3R,6R)-1-[4-cyano-2-(triazol-2-yl)benzoyl]-6-methylpiperidin-3-yl]oxypyridine-4-carbonitrile
CID 71526395
2-[(3R,6R)-1-(2-chloro-6-methoxypyridine-3-carbonyl)-6-methylpiperidin-3-yl]oxy-3-methylpyridine-4-carbonitrile
CID 90110369
[(2R,5R)-2-methyl-5-(quinolin-7-yloxymethyl)piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 46188068
[(2R,5R)-2-methyl-5-[(5-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 25125857
3-methyl-2-[(3R,6R)-6-methyl-1-(2-pyrrolidin-1-ylbenzoyl)piperidin-3-yl]oxypyridine-4-carbonitrile
CID 74222492
3-methoxy-2-[(3R,6R)-6-methyl-1-[3-methyl-2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-4-carbonitrile
CID 74222164
[(2R,5R)-5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 25124830
[5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-[5-fluoro-2-(triazol-2-yl)phenyl]methanone
CID 25125173
4-methyl-2-[6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-3-carbonitrile
CID 123507857
[(2R,5R)-2-methyl-5-(quinolin-2-yloxymethyl)piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 46188604
[(2R,5R)-5-[(5-bromo-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 71036863

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R,6R)-1-[4-methoxy-2-(triazol-2-yl)benzoyl]-6-methylpiperidin-3-yl]methoxy]-3-methylpyridine-4-carbonitrile?
The IUPAC name of 2-[[(3R,6R)-1-[4-methoxy-2-(triazol-2-yl)benzoyl]-6-methylpiperidin-3-yl]methoxy]-3-methylpyridine-4-carbonitrile (CID 144616240) is 2-[[(3R,6R)-1-[4-methoxy-2-(triazol-2-yl)benzoyl]-6-methylpiperidin-3-yl]methoxy]-3-methylpyridine-4-carbonitrile.
What is the SMILES notation for 2-[[(3R,6R)-1-[4-methoxy-2-(triazol-2-yl)benzoyl]-6-methylpiperidin-3-yl]methoxy]-3-methylpyridine-4-carbonitrile?
The canonical SMILES for 2-[[(3R,6R)-1-[4-methoxy-2-(triazol-2-yl)benzoyl]-6-methylpiperidin-3-yl]methoxy]-3-methylpyridine-4-carbonitrile is COc1ccc(C(=O)N2C[C@H](COc3nccc(C#N)c3C)CC[C@H]2C)c(-n2nccn2)c1.
What is the InChIKey of 2-[[(3R,6R)-1-[4-methoxy-2-(triazol-2-yl)benzoyl]-6-methylpiperidin-3-yl]methoxy]-3-methylpyridine-4-carbonitrile?
The InChIKey is LTVGIVLMBCCHBT-SJLPKXTDSA-N. The full InChI is InChI=1S/C24H26N6O3/c1-16-4-5-18(15-33-23-17(2)19(13-25)8-9-26-23)14-29(16)24(31)21-7-6-20(32-3)12-22(21)30-27-10-11-28-30/h6-12,16,18H,4-5,14-15H2,1-3H3/t16-,18-/m1/s1.
What are the key properties of 2-[[(3R,6R)-1-[4-methoxy-2-(triazol-2-yl)benzoyl]-6-methylpiperidin-3-yl]methoxy]-3-methylpyridine-4-carbonitrile?
2-[[(3R,6R)-1-[4-methoxy-2-(triazol-2-yl)benzoyl]-6-methylpiperidin-3-yl]methoxy]-3-methylpyridine-4-carbonitrile has a molecular weight of 446.51 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R,6R)-1-[4-methoxy-2-(triazol-2-yl)benzoyl]-6-methylpiperidin-3-yl]methoxy]-3-methylpyridine-4-carbonitrile is sourced from PubChem (CID 144616240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).