2H-chromen-3-yl-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone

C19H19N3O2 — CID 124969421

IUPAC2H-chromen-3-yl-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
SMILESO=C(C1=Cc2ccccc2OC1)N1CCC[C@H](c2ccncn2)C1
InChIInChI=1S/C19H19N3O2/c23-19(16-10-14-4-1-2-6-18(14)24-12-16)22-9-3-5-15(11-22)17-7-8-20-13-21-17/h1-2,4,6-8,10,13,15H,3,5,9,11-12H2/t15-/m0/s1
InChIKeyJIXCVSMDPMFZOE-HNNXBMFYSA-N
MW321.38 g/mol
LogP2.66
Rot. Bonds2

About 2H-chromen-3-yl-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone

2H-chromen-3-yl-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone (PubChem CID 124969421) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2H-chromen-3-yl-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name2H-chromen-3-yl-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
PubChem CID124969421
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name2H-chromen-3-yl-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
SMILESO=C(C1=Cc2ccccc2OC1)N1CCC[C@H](c2ccncn2)C1
InChIInChI=1S/C19H19N3O2/c23-19(16-10-14-4-1-2-6-18(14)24-12-16)22-9-3-5-15(11-22)17-7-8-20-13-21-17/h1-2,4,6-8,10,13,15H,3,5,9,11-12H2/t15-/m0/s1
InChIKeyJIXCVSMDPMFZOE-HNNXBMFYSA-N
XLogP2.66
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2H-chromen-3-yl-[(3S)-3-methylpiperidin-1-yl]methanone
CID 36706766
[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2H-chromen-3-yl)methanone
CID 51478181
[2-(4-fluorophenyl)phenyl]-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 99994862
(1-methylpyrazol-4-yl)-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 95845824
2H-chromen-3-yl-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119395350
[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 124996356
azepan-1-yl-[1-(2H-chromene-3-carbonyl)piperidin-4-yl]methanone
CID 17475798
ethyl N-[(3S)-1-(2H-chromene-3-carbonyl)piperidin-3-yl]carbamate
CID 95311873
N-[[(3S)-1-(2H-chromene-3-carbonyl)piperidin-3-yl]methyl]-2-methylpropanamide
CID 95276103
2H-chromen-3-yl-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 124974332
1H-indol-2-yl-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 26341767
1-benzothiophen-2-yl-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 124957234

Frequently Asked Questions

What is the IUPAC name of 2H-chromen-3-yl-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone?
The IUPAC name of 2H-chromen-3-yl-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone (CID 124969421) is 2H-chromen-3-yl-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone.
What is the SMILES notation for 2H-chromen-3-yl-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone?
The canonical SMILES for 2H-chromen-3-yl-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone is O=C(C1=Cc2ccccc2OC1)N1CCC[C@H](c2ccncn2)C1.
What is the InChIKey of 2H-chromen-3-yl-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone?
The InChIKey is JIXCVSMDPMFZOE-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H19N3O2/c23-19(16-10-14-4-1-2-6-18(14)24-12-16)22-9-3-5-15(11-22)17-7-8-20-13-21-17/h1-2,4,6-8,10,13,15H,3,5,9,11-12H2/t15-/m0/s1.
What are the key properties of 2H-chromen-3-yl-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone?
2H-chromen-3-yl-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone has a molecular weight of 321.38 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-chromen-3-yl-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone is sourced from PubChem (CID 124969421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).