[(3R)-3,4-dihydro-2H-chromen-3-yl]-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone

C19H24N4O2 — CID 97138813

IUPAC[(3R)-3,4-dihydro-2H-chromen-3-yl]-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone
SMILESCn1ccnc1CN1CCN(C(=O)[C@H]2COc3ccccc3C2)CC1
InChIInChI=1S/C19H24N4O2/c1-21-7-6-20-18(21)13-22-8-10-23(11-9-22)19(24)16-12-15-4-2-3-5-17(15)25-14-16/h2-7,16H,8-14H2,1H3/t16-/m1/s1
InChIKeySLNYXNUYILRVLF-MRXNPFEDSA-N
MW340.43 g/mol
LogP1.32
Rot. Bonds3

About [(3R)-3,4-dihydro-2H-chromen-3-yl]-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone

[(3R)-3,4-dihydro-2H-chromen-3-yl]-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone (PubChem CID 97138813) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is [(3R)-3,4-dihydro-2H-chromen-3-yl]-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[(3R)-3,4-dihydro-2H-chromen-3-yl]-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone
PubChem CID97138813
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name[(3R)-3,4-dihydro-2H-chromen-3-yl]-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone
SMILESCn1ccnc1CN1CCN(C(=O)[C@H]2COc3ccccc3C2)CC1
InChIInChI=1S/C19H24N4O2/c1-21-7-6-20-18(21)13-22-8-10-23(11-9-22)19(24)16-12-15-4-2-3-5-17(15)25-14-16/h2-7,16H,8-14H2,1H3/t16-/m1/s1
InChIKeySLNYXNUYILRVLF-MRXNPFEDSA-N
XLogP1.32
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3R)-3,4-dihydro-2H-chromen-3-yl]-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

(3R)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97143444
(4-benzylpiperazin-1-yl)-(3,4-dihydro-2H-chromen-3-yl)methanone;2,2,2-trifluoroacetic acid
CID 154885137
[(3R)-3,4-dihydro-2H-chromen-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 95375095
3,4-dihydro-2H-chromen-3-yl-(1-methylimidazol-2-yl)methanone
CID 65407973
[(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(piperazin-1-yl)methanone
CID 63565455
2-[2-[4-(3,4-dihydro-2H-chromene-3-carbonyl)piperazin-1-yl]ethyl]-6-methylpyridazin-3-one
CID 126913588
3,4-dihydro-2H-chromen-3-yl-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
CID 134022339
[(3R)-3,4-dihydro-2H-chromen-3-yl]-(4-pyridin-3-ylpiperazin-1-yl)methanone
CID 97137307
[(3R)-3,4-dihydro-2H-chromen-3-yl]-morpholin-4-ylmethanone
CID 26794764
[4-(pyridin-2-ylmethyl)piperazin-1-yl]-[(4R)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methanone
CID 97277467
(4-benzoylpiperazin-1-yl)-[(3S)-3,4-dihydro-2H-chromen-3-yl]methanone
CID 51925423

Frequently Asked Questions

What is the IUPAC name of [(3R)-3,4-dihydro-2H-chromen-3-yl]-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone?
The IUPAC name of [(3R)-3,4-dihydro-2H-chromen-3-yl]-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone (CID 97138813) is [(3R)-3,4-dihydro-2H-chromen-3-yl]-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for [(3R)-3,4-dihydro-2H-chromen-3-yl]-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for [(3R)-3,4-dihydro-2H-chromen-3-yl]-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone is Cn1ccnc1CN1CCN(C(=O)[C@H]2COc3ccccc3C2)CC1.
What is the InChIKey of [(3R)-3,4-dihydro-2H-chromen-3-yl]-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone?
The InChIKey is SLNYXNUYILRVLF-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-21-7-6-20-18(21)13-22-8-10-23(11-9-22)19(24)16-12-15-4-2-3-5-17(15)25-14-16/h2-7,16H,8-14H2,1H3/t16-/m1/s1.
What are the key properties of [(3R)-3,4-dihydro-2H-chromen-3-yl]-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone?
[(3R)-3,4-dihydro-2H-chromen-3-yl]-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone has a molecular weight of 340.43 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3,4-dihydro-2H-chromen-3-yl]-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 97138813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).