(4-tert-butylpiperidin-1-yl)-[(2S)-2,3-dihydro-1H-indol-2-yl]methanone

C18H26N2O — CID 62084353

IUPAC(4-tert-butylpiperidin-1-yl)-[(2S)-2,3-dihydro-1H-indol-2-yl]methanone
SMILESCC(C)(C)C1CCN(C(=O)[C@@H]2Cc3ccccc3N2)CC1
InChIInChI=1S/C18H26N2O/c1-18(2,3)14-8-10-20(11-9-14)17(21)16-12-13-6-4-5-7-15(13)19-16/h4-7,14,16,19H,8-12H2,1-3H3/t16-/m0/s1
InChIKeyQDCWESIWYCQZQQ-INIZCTEOSA-N
MW286.42 g/mol
LogP3.31
Rot. Bonds1

About (4-tert-butylpiperidin-1-yl)-[(2S)-2,3-dihydro-1H-indol-2-yl]methanone

(4-tert-butylpiperidin-1-yl)-[(2S)-2,3-dihydro-1H-indol-2-yl]methanone (PubChem CID 62084353) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is (4-tert-butylpiperidin-1-yl)-[(2S)-2,3-dihydro-1H-indol-2-yl]methanone.

Molecular Properties

Compound Name(4-tert-butylpiperidin-1-yl)-[(2S)-2,3-dihydro-1H-indol-2-yl]methanone
PubChem CID62084353
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name(4-tert-butylpiperidin-1-yl)-[(2S)-2,3-dihydro-1H-indol-2-yl]methanone
SMILESCC(C)(C)C1CCN(C(=O)[C@@H]2Cc3ccccc3N2)CC1
InChIInChI=1S/C18H26N2O/c1-18(2,3)14-8-10-20(11-9-14)17(21)16-12-13-6-4-5-7-15(13)19-16/h4-7,14,16,19H,8-12H2,1-3H3/t16-/m0/s1
InChIKeyQDCWESIWYCQZQQ-INIZCTEOSA-N
XLogP3.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-tert-butylpiperazin-1-yl)-(2,3-dihydro-1H-indol-2-yl)methanone
CID 76903989
[(2S)-2,3-dihydro-1H-indol-2-yl]-pyrrolidin-1-ylmethanone
CID 61148628
2,3-dihydro-1H-indol-2-yl-(3-methylpyrrolidin-1-yl)methanone
CID 76895982
[(2R)-2,3-dihydro-1H-indol-2-yl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 124591695
1-[4-(2,3-dihydro-1H-indole-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 76912181
2,3-dihydro-1H-indol-2-yl-(4-methyl-1,4-diazepan-1-yl)methanone
CID 76891866
2,3-dihydro-1H-indol-2-yl-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81103602
methyl 4-(2,3-dihydro-1H-indole-2-carbonyl)piperazine-1-carboxylate
CID 76894114
[(2R)-2,3-dihydro-1H-indol-2-yl]-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 124591728
2,3-dihydro-1H-indol-2-yl-(3,4-dimethylpiperazin-1-yl)methanone
CID 77002747
[(2S)-2,3-dihydro-1H-indol-2-yl]-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 107220795
2,3-dihydro-1H-indol-2-yl-(4,4-dimethylazepan-1-yl)methanone
CID 77064458

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylpiperidin-1-yl)-[(2S)-2,3-dihydro-1H-indol-2-yl]methanone?
The IUPAC name of (4-tert-butylpiperidin-1-yl)-[(2S)-2,3-dihydro-1H-indol-2-yl]methanone (CID 62084353) is (4-tert-butylpiperidin-1-yl)-[(2S)-2,3-dihydro-1H-indol-2-yl]methanone.
What is the SMILES notation for (4-tert-butylpiperidin-1-yl)-[(2S)-2,3-dihydro-1H-indol-2-yl]methanone?
The canonical SMILES for (4-tert-butylpiperidin-1-yl)-[(2S)-2,3-dihydro-1H-indol-2-yl]methanone is CC(C)(C)C1CCN(C(=O)[C@@H]2Cc3ccccc3N2)CC1.
What is the InChIKey of (4-tert-butylpiperidin-1-yl)-[(2S)-2,3-dihydro-1H-indol-2-yl]methanone?
The InChIKey is QDCWESIWYCQZQQ-INIZCTEOSA-N. The full InChI is InChI=1S/C18H26N2O/c1-18(2,3)14-8-10-20(11-9-14)17(21)16-12-13-6-4-5-7-15(13)19-16/h4-7,14,16,19H,8-12H2,1-3H3/t16-/m0/s1.
What are the key properties of (4-tert-butylpiperidin-1-yl)-[(2S)-2,3-dihydro-1H-indol-2-yl]methanone?
(4-tert-butylpiperidin-1-yl)-[(2S)-2,3-dihydro-1H-indol-2-yl]methanone has a molecular weight of 286.42 g/mol, XLogP of 3.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylpiperidin-1-yl)-[(2S)-2,3-dihydro-1H-indol-2-yl]methanone is sourced from PubChem (CID 62084353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).