[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone

C20H25N3O — CID 95336246

IUPAC[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone
SMILESCc1nccn1[C@H]1CCCN(C(=O)[C@@H]2CCCc3ccccc32)C1
InChIInChI=1S/C20H25N3O/c1-15-21-11-13-23(15)17-8-5-12-22(14-17)20(24)19-10-4-7-16-6-2-3-9-18(16)19/h2-3,6,9,11,13,17,19H,4-5,7-8,10,12,14H2,1H3/t17-,19+/m0/s1
InChIKeyOXNRGLFULYVZMK-PKOBYXMFSA-N
MW323.44 g/mol
LogP3.48
Rot. Bonds2

About [(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone

[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone (PubChem CID 95336246) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is [(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone.

Molecular Properties

Compound Name[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone
PubChem CID95336246
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone
SMILESCc1nccn1[C@H]1CCCN(C(=O)[C@@H]2CCCc3ccccc32)C1
InChIInChI=1S/C20H25N3O/c1-15-21-11-13-23(15)17-8-5-12-22(14-17)20(24)19-10-4-7-16-6-2-3-9-18(16)19/h2-3,6,9,11,13,17,19H,4-5,7-8,10,12,14H2,1H3/t17-,19+/m0/s1
InChIKeyOXNRGLFULYVZMK-PKOBYXMFSA-N
XLogP3.48
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-3-pyrazol-1-ylpiperidin-1-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone
CID 95158672
[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone
CID 95157079
[(2R)-2,3-dihydro-1-benzofuran-2-yl]-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone
CID 95326507
[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone
CID 98758129
(3-aminopiperidin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone;hydrochloride
CID 119381033
[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone
CID 97004266
[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone
CID 95768730
[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone
CID 95734380
(4S)-1-cyclopentyl-4-[(3S)-3-(2-methylimidazol-1-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 95336680
[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-[(3S)-oxolan-3-yl]methanone
CID 95334679
[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-[(2R)-1-methylsulfonylpyrrolidin-2-yl]methanone
CID 95606419
(4-hydroxy-3-methylpiperidin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 114501421

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone?
The IUPAC name of [(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone (CID 95336246) is [(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone.
What is the SMILES notation for [(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone?
The canonical SMILES for [(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone is Cc1nccn1[C@H]1CCCN(C(=O)[C@@H]2CCCc3ccccc32)C1.
What is the InChIKey of [(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone?
The InChIKey is OXNRGLFULYVZMK-PKOBYXMFSA-N. The full InChI is InChI=1S/C20H25N3O/c1-15-21-11-13-23(15)17-8-5-12-22(14-17)20(24)19-10-4-7-16-6-2-3-9-18(16)19/h2-3,6,9,11,13,17,19H,4-5,7-8,10,12,14H2,1H3/t17-,19+/m0/s1.
What are the key properties of [(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone?
[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone has a molecular weight of 323.44 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone is sourced from PubChem (CID 95336246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).