[(3R)-3,4-dihydro-2H-chromen-3-yl]-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone

C19H23N3O2 — CID 96514506

IUPAC[(3R)-3,4-dihydro-2H-chromen-3-yl]-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
SMILESCc1cc([C@@H]2CCCN(C(=O)[C@H]3COc4ccccc4C3)C2)n[nH]1
InChIInChI=1S/C19H23N3O2/c1-13-9-17(21-20-13)15-6-4-8-22(11-15)19(23)16-10-14-5-2-3-7-18(14)24-12-16/h2-3,5,7,9,15-16H,4,6,8,10-12H2,1H3,(H,20,21)/t15-,16-/m1/s1
InChIKeyYUSFCOUGXSYQRK-HZPDHXFCSA-N
MW325.41 g/mol
LogP2.68
Rot. Bonds2

About [(3R)-3,4-dihydro-2H-chromen-3-yl]-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone

[(3R)-3,4-dihydro-2H-chromen-3-yl]-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone (PubChem CID 96514506) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is [(3R)-3,4-dihydro-2H-chromen-3-yl]-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[(3R)-3,4-dihydro-2H-chromen-3-yl]-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
PubChem CID96514506
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name[(3R)-3,4-dihydro-2H-chromen-3-yl]-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
SMILESCc1cc([C@@H]2CCCN(C(=O)[C@H]3COc4ccccc4C3)C2)n[nH]1
InChIInChI=1S/C19H23N3O2/c1-13-9-17(21-20-13)15-6-4-8-22(11-15)19(23)16-10-14-5-2-3-7-18(14)24-12-16/h2-3,5,7,9,15-16H,4,6,8,10-12H2,1H3,(H,20,21)/t15-,16-/m1/s1
InChIKeyYUSFCOUGXSYQRK-HZPDHXFCSA-N
XLogP2.68
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-3,4-dihydro-2H-chromen-3-yl]-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95734429
[(3S)-3,4-dihydro-2H-chromen-3-yl]-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95778814
(3R)-1-(3,4-dihydro-2H-chromene-3-carbonyl)piperidine-3-carboxylic acid
CID 81126614
[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone
CID 97004266
[(3R)-3,4-dihydro-2H-chromen-3-yl]-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95761165
1-cyclopropyl-4-[3-(5-methyl-1H-pyrazol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 71926859
2-[benzyl(methyl)amino]-1-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone
CID 97069110
[(1R)-3,4-dihydro-1H-isothiochromen-1-yl]-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
CID 96514453
3,4-dihydro-2H-chromen-3-yl-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103900916
2-(3,4-dihydro-2H-chromen-4-yl)-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone
CID 71926734
(1-methylpiperidin-2-yl)-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
CID 71926857
1,3-benzodioxol-4-yl-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
CID 96514469

Frequently Asked Questions

What is the IUPAC name of [(3R)-3,4-dihydro-2H-chromen-3-yl]-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of [(3R)-3,4-dihydro-2H-chromen-3-yl]-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone (CID 96514506) is [(3R)-3,4-dihydro-2H-chromen-3-yl]-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [(3R)-3,4-dihydro-2H-chromen-3-yl]-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for [(3R)-3,4-dihydro-2H-chromen-3-yl]-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone is Cc1cc([C@@H]2CCCN(C(=O)[C@H]3COc4ccccc4C3)C2)n[nH]1.
What is the InChIKey of [(3R)-3,4-dihydro-2H-chromen-3-yl]-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone?
The InChIKey is YUSFCOUGXSYQRK-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-13-9-17(21-20-13)15-6-4-8-22(11-15)19(23)16-10-14-5-2-3-7-18(14)24-12-16/h2-3,5,7,9,15-16H,4,6,8,10-12H2,1H3,(H,20,21)/t15-,16-/m1/s1.
What are the key properties of [(3R)-3,4-dihydro-2H-chromen-3-yl]-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone?
[(3R)-3,4-dihydro-2H-chromen-3-yl]-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone has a molecular weight of 325.41 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3,4-dihydro-2H-chromen-3-yl]-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 96514506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).