3,5,5-trimethyl-1-[4-(1-methylindol-3-yl)piperidin-1-yl]hexan-1-one

C23H34N2O — CID 46103716

IUPAC3,5,5-trimethyl-1-[4-(1-methylindol-3-yl)piperidin-1-yl]hexan-1-one
SMILESCC(CC(=O)N1CCC(c2cn(C)c3ccccc23)CC1)CC(C)(C)C
InChIInChI=1S/C23H34N2O/c1-17(15-23(2,3)4)14-22(26)25-12-10-18(11-13-25)20-16-24(5)21-9-7-6-8-19(20)21/h6-9,16-18H,10-15H2,1-5H3
InChIKeyNGPWVYIDGDDCPE-UHFFFAOYSA-N
MW354.54 g/mol
LogP5.35
Rot. Bonds4

About 3,5,5-trimethyl-1-[4-(1-methylindol-3-yl)piperidin-1-yl]hexan-1-one

3,5,5-trimethyl-1-[4-(1-methylindol-3-yl)piperidin-1-yl]hexan-1-one (PubChem CID 46103716) has the molecular formula C23H34N2O and a molecular weight of 354.54 g/mol. Its IUPAC name is 3,5,5-trimethyl-1-[4-(1-methylindol-3-yl)piperidin-1-yl]hexan-1-one.

Molecular Properties

Compound Name3,5,5-trimethyl-1-[4-(1-methylindol-3-yl)piperidin-1-yl]hexan-1-one
PubChem CID46103716
Molecular FormulaC23H34N2O
Molecular Weight354.54 g/mol
Exact Mass354.27
IUPAC Name3,5,5-trimethyl-1-[4-(1-methylindol-3-yl)piperidin-1-yl]hexan-1-one
SMILESCC(CC(=O)N1CCC(c2cn(C)c3ccccc23)CC1)CC(C)(C)C
InChIInChI=1S/C23H34N2O/c1-17(15-23(2,3)4)14-22(26)25-12-10-18(11-13-25)20-16-24(5)21-9-7-6-8-19(20)21/h6-9,16-18H,10-15H2,1-5H3
InChIKeyNGPWVYIDGDDCPE-UHFFFAOYSA-N
XLogP5.35
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.54
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-4-(1-methylindol-3-yl)piperidine-1-carboxamide
CID 113087241
furan-2-yl-[4-(1-methylindol-3-yl)piperidin-1-yl]methanone
CID 113087188
[3,5-bis(trifluoromethyl)phenyl]-[4-(1-methylindol-3-yl)piperidin-1-yl]methanone
CID 46103714
3-(1-methylindol-3-yl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidine-1-carboxamide
CID 167748791
4-[4-(1-methylindol-3-yl)piperidin-1-yl]butan-1-amine
CID 58610231
1-[4-(1-aminoethyl)piperidin-1-yl]-3,5,5-trimethylhexan-1-one
CID 63595847
1-(4-hydroxypiperidin-1-yl)-2-(1-methylindol-3-yl)ethanone
CID 96668513
N-benzyl-N-methyl-1-[1-[(3R)-3,5,5-trimethylhexanoyl]piperidin-4-yl]piperidine-4-carboxamide
CID 93016800
3-amino-1-(4-naphthalen-1-ylpiperidin-1-yl)butan-1-one;hydrochloride
CID 119760305
2-(1-methylindol-3-yl)-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone
CID 70783175
(3R)-3,5,5-trimethyl-1-piperazin-1-ylhexan-1-one
CID 93256892
cyclopentyl-[4-[5-[(2-fluorophenyl)sulfonylmethyl]-1-methylindol-3-yl]piperidin-1-yl]methanone
CID 159960743

Frequently Asked Questions

What is the IUPAC name of 3,5,5-trimethyl-1-[4-(1-methylindol-3-yl)piperidin-1-yl]hexan-1-one?
The IUPAC name of 3,5,5-trimethyl-1-[4-(1-methylindol-3-yl)piperidin-1-yl]hexan-1-one (CID 46103716) is 3,5,5-trimethyl-1-[4-(1-methylindol-3-yl)piperidin-1-yl]hexan-1-one.
What is the SMILES notation for 3,5,5-trimethyl-1-[4-(1-methylindol-3-yl)piperidin-1-yl]hexan-1-one?
The canonical SMILES for 3,5,5-trimethyl-1-[4-(1-methylindol-3-yl)piperidin-1-yl]hexan-1-one is CC(CC(=O)N1CCC(c2cn(C)c3ccccc23)CC1)CC(C)(C)C.
What is the InChIKey of 3,5,5-trimethyl-1-[4-(1-methylindol-3-yl)piperidin-1-yl]hexan-1-one?
The InChIKey is NGPWVYIDGDDCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O/c1-17(15-23(2,3)4)14-22(26)25-12-10-18(11-13-25)20-16-24(5)21-9-7-6-8-19(20)21/h6-9,16-18H,10-15H2,1-5H3.
What are the key properties of 3,5,5-trimethyl-1-[4-(1-methylindol-3-yl)piperidin-1-yl]hexan-1-one?
3,5,5-trimethyl-1-[4-(1-methylindol-3-yl)piperidin-1-yl]hexan-1-one has a molecular weight of 354.54 g/mol, XLogP of 5.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,5-trimethyl-1-[4-(1-methylindol-3-yl)piperidin-1-yl]hexan-1-one is sourced from PubChem (CID 46103716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).