[(3R)-3,4-dihydro-2H-chromen-3-yl]-(4-pyridin-3-ylpiperazin-1-yl)methanone

C19H21N3O2 — CID 97137307

IUPAC[(3R)-3,4-dihydro-2H-chromen-3-yl]-(4-pyridin-3-ylpiperazin-1-yl)methanone
SMILESO=C([C@H]1COc2ccccc2C1)N1CCN(c2cccnc2)CC1
InChIInChI=1S/C19H21N3O2/c23-19(16-12-15-4-1-2-6-18(15)24-14-16)22-10-8-21(9-11-22)17-5-3-7-20-13-17/h1-7,13,16H,8-12,14H2/t16-/m1/s1
InChIKeyYVNKRGQWVHVXGI-MRXNPFEDSA-N
MW323.40 g/mol
LogP1.98
Rot. Bonds2

About [(3R)-3,4-dihydro-2H-chromen-3-yl]-(4-pyridin-3-ylpiperazin-1-yl)methanone

[(3R)-3,4-dihydro-2H-chromen-3-yl]-(4-pyridin-3-ylpiperazin-1-yl)methanone (PubChem CID 97137307) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is [(3R)-3,4-dihydro-2H-chromen-3-yl]-(4-pyridin-3-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[(3R)-3,4-dihydro-2H-chromen-3-yl]-(4-pyridin-3-ylpiperazin-1-yl)methanone
PubChem CID97137307
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name[(3R)-3,4-dihydro-2H-chromen-3-yl]-(4-pyridin-3-ylpiperazin-1-yl)methanone
SMILESO=C([C@H]1COc2ccccc2C1)N1CCN(c2cccnc2)CC1
InChIInChI=1S/C19H21N3O2/c23-19(16-12-15-4-1-2-6-18(15)24-14-16)22-10-8-21(9-11-22)17-5-3-7-20-13-17/h1-7,13,16H,8-12,14H2/t16-/m1/s1
InChIKeyYVNKRGQWVHVXGI-MRXNPFEDSA-N
XLogP1.98
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-3,4-dihydro-2H-chromen-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 95375095
3,4-dihydro-2H-chromen-3-yl-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 22578090
[(3S)-3,4-dihydro-2H-chromen-3-yl]-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]methanone
CID 97139467
3,4-dihydro-2H-chromen-3-yl-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
CID 134022339
3,4-dihydro-2H-chromen-3-yl-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 18093513
2-[4-(3,4-dihydro-2H-chromene-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 72844348
[(3S)-3,4-dihydro-2H-chromen-3-yl]-[4-(2-methyl-4-pyridinyl)-1,4-diazepan-1-yl]methanone
CID 97148569
[(3R)-3,4-dihydro-2H-chromen-3-yl]-morpholin-4-ylmethanone
CID 26794764
3,4-dihydro-2H-chromen-3-yl-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 70773170
(4-benzoylpiperazin-1-yl)-[(3S)-3,4-dihydro-2H-chromen-3-yl]methanone
CID 51925423
3,4-dihydro-2H-chromen-3-yl-[4-[4-(pyrimidin-4-ylamino)sulfanylphenyl]piperazin-1-yl]methanone
CID 89404811
3,4-dihydro-2H-chromen-3-yl(piperazin-1-yl)methanone
CID 63565455

Frequently Asked Questions

What is the IUPAC name of [(3R)-3,4-dihydro-2H-chromen-3-yl]-(4-pyridin-3-ylpiperazin-1-yl)methanone?
The IUPAC name of [(3R)-3,4-dihydro-2H-chromen-3-yl]-(4-pyridin-3-ylpiperazin-1-yl)methanone (CID 97137307) is [(3R)-3,4-dihydro-2H-chromen-3-yl]-(4-pyridin-3-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [(3R)-3,4-dihydro-2H-chromen-3-yl]-(4-pyridin-3-ylpiperazin-1-yl)methanone?
The canonical SMILES for [(3R)-3,4-dihydro-2H-chromen-3-yl]-(4-pyridin-3-ylpiperazin-1-yl)methanone is O=C([C@H]1COc2ccccc2C1)N1CCN(c2cccnc2)CC1.
What is the InChIKey of [(3R)-3,4-dihydro-2H-chromen-3-yl]-(4-pyridin-3-ylpiperazin-1-yl)methanone?
The InChIKey is YVNKRGQWVHVXGI-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H21N3O2/c23-19(16-12-15-4-1-2-6-18(15)24-14-16)22-10-8-21(9-11-22)17-5-3-7-20-13-17/h1-7,13,16H,8-12,14H2/t16-/m1/s1.
What are the key properties of [(3R)-3,4-dihydro-2H-chromen-3-yl]-(4-pyridin-3-ylpiperazin-1-yl)methanone?
[(3R)-3,4-dihydro-2H-chromen-3-yl]-(4-pyridin-3-ylpiperazin-1-yl)methanone has a molecular weight of 323.40 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3,4-dihydro-2H-chromen-3-yl]-(4-pyridin-3-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 97137307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).