[(4S)-3,4-dihydro-2H-chromen-4-yl]-[(3S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]methanone

C19H24N4O2 — CID 95737284

IUPAC[(4S)-3,4-dihydro-2H-chromen-4-yl]-[(3S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]methanone
SMILESCc1nc(C)n([C@H]2CCCN(C(=O)[C@H]3CCOc4ccccc43)C2)n1
InChIInChI=1S/C19H24N4O2/c1-13-20-14(2)23(21-13)15-6-5-10-22(12-15)19(24)17-9-11-25-18-8-4-3-7-16(17)18/h3-4,7-8,15,17H,5-6,9-12H2,1-2H3/t15-,17-/m0/s1
InChIKeyIPVBDNZDKUYYAG-RDJZCZTQSA-N
MW340.43 g/mol
LogP2.62
Rot. Bonds2

About [(4S)-3,4-dihydro-2H-chromen-4-yl]-[(3S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]methanone

[(4S)-3,4-dihydro-2H-chromen-4-yl]-[(3S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]methanone (PubChem CID 95737284) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is [(4S)-3,4-dihydro-2H-chromen-4-yl]-[(3S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[(4S)-3,4-dihydro-2H-chromen-4-yl]-[(3S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]methanone
PubChem CID95737284
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name[(4S)-3,4-dihydro-2H-chromen-4-yl]-[(3S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]methanone
SMILESCc1nc(C)n([C@H]2CCCN(C(=O)[C@H]3CCOc4ccccc43)C2)n1
InChIInChI=1S/C19H24N4O2/c1-13-20-14(2)23(21-13)15-6-5-10-22(12-15)19(24)17-9-11-25-18-8-4-3-7-16(17)18/h3-4,7-8,15,17H,5-6,9-12H2,1-2H3/t15-,17-/m0/s1
InChIKeyIPVBDNZDKUYYAG-RDJZCZTQSA-N
XLogP2.62
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-[(2R,3S)-3-methyl-2,3-dihydro-1-benzofuran-2-yl]methanone
CID 100850627
[(4R)-3,4-dihydro-2H-chromen-4-yl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 95736761
[(3R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]methanone
CID 95736983
(3R)-1-(3,4-dihydro-2H-chromene-4-carbonyl)piperidine-3-carboxylic acid
CID 81127945
(3S)-1-(3,4-dihydro-2H-chromene-4-carbonyl)piperidine-3-carboxylic acid
CID 81120261
3,4-dihydro-2H-chromen-4-yl-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 63709581
[(3R)-3-aminopyrrolidin-1-yl]-(3,4-dihydro-2H-chromen-4-yl)methanone
CID 81468969
3-[(3S)-1-[(4R)-3,4-dihydro-2H-chromene-4-carbonyl]piperidin-3-yl]propanoic acid
CID 124700551
[(3R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-(5-methylfuran-2-yl)methanone
CID 95736860
[(1R)-cyclohex-3-en-1-yl]-[(3S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 95736942
2-[benzyl(methyl)amino]-1-[(3R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]ethanone
CID 95737201
[(3S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
CID 95737234

Frequently Asked Questions

What is the IUPAC name of [(4S)-3,4-dihydro-2H-chromen-4-yl]-[(3S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]methanone?
The IUPAC name of [(4S)-3,4-dihydro-2H-chromen-4-yl]-[(3S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]methanone (CID 95737284) is [(4S)-3,4-dihydro-2H-chromen-4-yl]-[(3S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [(4S)-3,4-dihydro-2H-chromen-4-yl]-[(3S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for [(4S)-3,4-dihydro-2H-chromen-4-yl]-[(3S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]methanone is Cc1nc(C)n([C@H]2CCCN(C(=O)[C@H]3CCOc4ccccc43)C2)n1.
What is the InChIKey of [(4S)-3,4-dihydro-2H-chromen-4-yl]-[(3S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]methanone?
The InChIKey is IPVBDNZDKUYYAG-RDJZCZTQSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-13-20-14(2)23(21-13)15-6-5-10-22(12-15)19(24)17-9-11-25-18-8-4-3-7-16(17)18/h3-4,7-8,15,17H,5-6,9-12H2,1-2H3/t15-,17-/m0/s1.
What are the key properties of [(4S)-3,4-dihydro-2H-chromen-4-yl]-[(3S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]methanone?
[(4S)-3,4-dihydro-2H-chromen-4-yl]-[(3S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]methanone has a molecular weight of 340.43 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-3,4-dihydro-2H-chromen-4-yl]-[(3S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 95737284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).