[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone

C20H25N3O — CID 110104147

IUPAC[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
SMILESCc1cnc(C2CCCN(C(=O)c3ccc4c(c3)CCCC4)C2)[nH]1
InChIInChI=1S/C20H25N3O/c1-14-12-21-19(22-14)18-7-4-10-23(13-18)20(24)17-9-8-15-5-2-3-6-16(15)11-17/h8-9,11-12,18H,2-7,10,13H2,1H3,(H,21,22)
InChIKeyBXDIPQZFGBTPGZ-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.62
Rot. Bonds2

About [3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone

[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone (PubChem CID 110104147) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is [3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone.

Molecular Properties

Compound Name[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
PubChem CID110104147
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
SMILESCc1cnc(C2CCCN(C(=O)c3ccc4c(c3)CCCC4)C2)[nH]1
InChIInChI=1S/C20H25N3O/c1-14-12-21-19(22-14)18-7-4-10-23(13-18)20(24)17-9-8-15-5-2-3-6-16(15)11-17/h8-9,11-12,18H,2-7,10,13H2,1H3,(H,21,22)
InChIKeyBXDIPQZFGBTPGZ-UHFFFAOYSA-N
XLogP3.62
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-benzodioxol-5-yl-[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 125025134
(2,3-dimethyl-1H-indol-5-yl)-[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 125006215
[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-quinolin-6-ylmethanone
CID 124986274
2,3-dihydro-1H-inden-5-yl-[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone
CID 124988304
(3,5-difluorophenyl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 125011983
[4-[(dimethylamino)methyl]phenyl]-[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 124955112
1-[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 124998813
3-methyl-5-[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidine-1-carbonyl]-1,3-benzoxazol-2-one
CID 124989932
[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 124940492
3-[3-(5-methyl-1H-imidazol-2-yl)piperidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
CID 110104163
[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone
CID 110104071
(2-chlorophenyl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 124949617

Frequently Asked Questions

What is the IUPAC name of [3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone?
The IUPAC name of [3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone (CID 110104147) is [3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone.
What is the SMILES notation for [3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone?
The canonical SMILES for [3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone is Cc1cnc(C2CCCN(C(=O)c3ccc4c(c3)CCCC4)C2)[nH]1.
What is the InChIKey of [3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone?
The InChIKey is BXDIPQZFGBTPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-14-12-21-19(22-14)18-7-4-10-23(13-18)20(24)17-9-8-15-5-2-3-6-16(15)11-17/h8-9,11-12,18H,2-7,10,13H2,1H3,(H,21,22).
What are the key properties of [3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone?
[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone has a molecular weight of 323.44 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone is sourced from PubChem (CID 110104147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).