1-[(1S,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-N-(3-methylbutyl)piperidine-4-carboxamide

C20H30N2O2 — CID 97335580

IUPAC1-[(1S,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-N-(3-methylbutyl)piperidine-4-carboxamide
SMILESCC(C)CCNC(=O)C1CCN([C@@H]2Cc3ccccc3[C@@H]2O)CC1
InChIInChI=1S/C20H30N2O2/c1-14(2)7-10-21-20(24)15-8-11-22(12-9-15)18-13-16-5-3-4-6-17(16)19(18)23/h3-6,14-15,18-19,23H,7-13H2,1-2H3,(H,21,24)/t18-,19+/m1/s1
InChIKeyGQGFOKLZOVURLV-MOPGFXCFSA-N
MW330.47 g/mol
LogP2.52
Rot. Bonds5

About 1-[(1S,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-N-(3-methylbutyl)piperidine-4-carboxamide

1-[(1S,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-N-(3-methylbutyl)piperidine-4-carboxamide (PubChem CID 97335580) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 1-[(1S,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-N-(3-methylbutyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(1S,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-N-(3-methylbutyl)piperidine-4-carboxamide
PubChem CID97335580
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name1-[(1S,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-N-(3-methylbutyl)piperidine-4-carboxamide
SMILESCC(C)CCNC(=O)C1CCN([C@@H]2Cc3ccccc3[C@@H]2O)CC1
InChIInChI=1S/C20H30N2O2/c1-14(2)7-10-21-20(24)15-8-11-22(12-9-15)18-13-16-5-3-4-6-17(16)19(18)23/h3-6,14-15,18-19,23H,7-13H2,1-2H3,(H,21,24)/t18-,19+/m1/s1
InChIKeyGQGFOKLZOVURLV-MOPGFXCFSA-N
XLogP2.52
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(1S,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-N-(3-methylbutyl)piperidine-4-carboxamide with MolForge

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Related Compounds

1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(3-methylbutyl)urea
CID 110894408
N-[1-(1-hydroxy-2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-2-methylpropanamide
CID 84598887
4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(3-methylbutyl)cyclohexane-1-carboxamide
CID 109149020
N-[1-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]piperidin-4-yl]propane-1-sulfonamide
CID 97335574
1-[1-(2-methylbenzoyl)piperidin-4-yl]-N-(3-methylbutyl)piperidine-4-carboxamide
CID 42693604
N-(3-methylbutyl)-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxamide
CID 110677779
N-(3-methylbutyl)-1-[2-(2-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113005543
(1R,2S)-2-(3-methylbutylamino)-2,3-dihydro-1H-inden-1-ol
CID 99831571
N-(3-methylbutyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 26637084
1-(2-fluorophenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide
CID 24640967
1-[(4-ethylphenyl)methyl]-N-(3-methylbutyl)piperidine-4-carboxamide
CID 795830
(2S)-2-morpholin-4-yl-2,3-dihydro-1H-inden-1-ol
CID 58393444

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-N-(3-methylbutyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(1S,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-N-(3-methylbutyl)piperidine-4-carboxamide (CID 97335580) is 1-[(1S,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-N-(3-methylbutyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(1S,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-N-(3-methylbutyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(1S,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-N-(3-methylbutyl)piperidine-4-carboxamide is CC(C)CCNC(=O)C1CCN([C@@H]2Cc3ccccc3[C@@H]2O)CC1.
What is the InChIKey of 1-[(1S,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-N-(3-methylbutyl)piperidine-4-carboxamide?
The InChIKey is GQGFOKLZOVURLV-MOPGFXCFSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-14(2)7-10-21-20(24)15-8-11-22(12-9-15)18-13-16-5-3-4-6-17(16)19(18)23/h3-6,14-15,18-19,23H,7-13H2,1-2H3,(H,21,24)/t18-,19+/m1/s1.
What are the key properties of 1-[(1S,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-N-(3-methylbutyl)piperidine-4-carboxamide?
1-[(1S,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-N-(3-methylbutyl)piperidine-4-carboxamide has a molecular weight of 330.47 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-N-(3-methylbutyl)piperidine-4-carboxamide is sourced from PubChem (CID 97335580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).