3,4-dihydro-2H-chromen-6-yl-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

C18H21N3O2 — CID 126432495

IUPAC3,4-dihydro-2H-chromen-6-yl-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccc2c(c1)CCCO2)N1CCC[C@@H](c2ccn[nH]2)C1
InChIInChI=1S/C18H21N3O2/c22-18(14-5-6-17-13(11-14)4-2-10-23-17)21-9-1-3-15(12-21)16-7-8-19-20-16/h5-8,11,15H,1-4,9-10,12H2,(H,19,20)/t15-/m1/s1
InChIKeyHAEXRILZRVEJOP-OAHLLOKOSA-N
MW311.38 g/mol
LogP2.75
Rot. Bonds2

About 3,4-dihydro-2H-chromen-6-yl-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

3,4-dihydro-2H-chromen-6-yl-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone (PubChem CID 126432495) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-6-yl-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-chromen-6-yl-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
PubChem CID126432495
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name3,4-dihydro-2H-chromen-6-yl-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccc2c(c1)CCCO2)N1CCC[C@@H](c2ccn[nH]2)C1
InChIInChI=1S/C18H21N3O2/c22-18(14-5-6-17-13(11-14)4-2-10-23-17)21-9-1-3-15(12-21)16-7-8-19-20-16/h5-8,11,15H,1-4,9-10,12H2,(H,19,20)/t15-/m1/s1
InChIKeyHAEXRILZRVEJOP-OAHLLOKOSA-N
XLogP2.75
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,4-dihydro-2H-chromen-6-yl-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-dihydro-1H-inden-5-yl-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 124605887
(3-amino-4-bromophenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 61110136
3,4-dihydro-2H-chromen-6-yl(piperidin-1-yl)methanone
CID 110693318
3,4-dihydro-2H-chromen-6-yl-(4-hydroxypiperidin-1-yl)methanone
CID 82485167
2H-benzotriazol-5-yl-[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 125001721
(3-bromo-5-methylphenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 104852380
[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 95841606
1-(3,4-dihydro-2H-chromene-6-carbonyl)piperidine-4-carboxamide
CID 110693355
1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 62867071
(1-tert-butylpyrazol-4-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 100669470
6-[(3R)-1-(2,3-dihydro-1H-indene-5-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 124996465
2,3-dihydro-1-benzofuran-5-yl(pyrrolidin-1-yl)methanone
CID 60739558

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-6-yl-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of 3,4-dihydro-2H-chromen-6-yl-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone (CID 126432495) is 3,4-dihydro-2H-chromen-6-yl-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for 3,4-dihydro-2H-chromen-6-yl-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for 3,4-dihydro-2H-chromen-6-yl-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone is O=C(c1ccc2c(c1)CCCO2)N1CCC[C@@H](c2ccn[nH]2)C1.
What is the InChIKey of 3,4-dihydro-2H-chromen-6-yl-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is HAEXRILZRVEJOP-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H21N3O2/c22-18(14-5-6-17-13(11-14)4-2-10-23-17)21-9-1-3-15(12-21)16-7-8-19-20-16/h5-8,11,15H,1-4,9-10,12H2,(H,19,20)/t15-/m1/s1.
What are the key properties of 3,4-dihydro-2H-chromen-6-yl-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
3,4-dihydro-2H-chromen-6-yl-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 311.38 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-chromen-6-yl-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 126432495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).