(3-hydroxypiperidin-1-yl)-[1-(2-methylpropyl)indol-3-yl]methanone

C18H24N2O2 — CID 110900774

IUPAC(3-hydroxypiperidin-1-yl)-[1-(2-methylpropyl)indol-3-yl]methanone
SMILESCC(C)Cn1cc(C(=O)N2CCCC(O)C2)c2ccccc21
InChIInChI=1S/C18H24N2O2/c1-13(2)10-20-12-16(15-7-3-4-8-17(15)20)18(22)19-9-5-6-14(21)11-19/h3-4,7-8,12-14,21H,5-6,9-11H2,1-2H3
InChIKeyYRFVBMRCWUQBRR-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.89
Rot. Bonds3

About (3-hydroxypiperidin-1-yl)-[1-(2-methylpropyl)indol-3-yl]methanone

(3-hydroxypiperidin-1-yl)-[1-(2-methylpropyl)indol-3-yl]methanone (PubChem CID 110900774) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is (3-hydroxypiperidin-1-yl)-[1-(2-methylpropyl)indol-3-yl]methanone.

Molecular Properties

Compound Name(3-hydroxypiperidin-1-yl)-[1-(2-methylpropyl)indol-3-yl]methanone
PubChem CID110900774
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name(3-hydroxypiperidin-1-yl)-[1-(2-methylpropyl)indol-3-yl]methanone
SMILESCC(C)Cn1cc(C(=O)N2CCCC(O)C2)c2ccccc21
InChIInChI=1S/C18H24N2O2/c1-13(2)10-20-12-16(15-7-3-4-8-17(15)20)18(22)19-9-5-6-14(21)11-19/h3-4,7-8,12-14,21H,5-6,9-11H2,1-2H3
InChIKeyYRFVBMRCWUQBRR-UHFFFAOYSA-N
XLogP2.89
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-[1-(2-methylpropyl)indole-3-carbonyl]piperidine-3-carboxylate
CID 55915165
2-[4-[1-(2-methylpropyl)indole-3-carbonyl]morpholin-2-yl]acetic acid
CID 119248799
2-[(2S)-4-[1-(2-methylpropyl)indole-3-carbonyl]morpholin-2-yl]acetic acid
CID 125151891
(3-hydroxypiperidin-1-yl)-[2-(propan-2-ylamino)phenyl]methanone
CID 63107682
3,3-dimethyl-N-[1-[1-(2-methylpropyl)indole-3-carbonyl]azetidin-3-yl]butanamide
CID 167972694
1-(3-hydroxypiperidin-1-yl)-2-(3-methylindol-1-yl)ethanone
CID 110910723
(1-hydroxynaphthalen-2-yl)-(3-hydroxypiperidin-1-yl)methanone
CID 43392987
(1-ethylindol-3-yl)-[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]methanone
CID 110108182
[1-(2-methylpropyl)indol-3-yl]-[4-(2-nitrophenyl)piperazin-1-yl]methanone
CID 55914067
(1-benzylindol-3-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 110883917
[3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(1-ethylindol-3-yl)methanone
CID 110104217
N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-1-(2-methylpropyl)indole-3-carboxamide
CID 56568890

Frequently Asked Questions

What is the IUPAC name of (3-hydroxypiperidin-1-yl)-[1-(2-methylpropyl)indol-3-yl]methanone?
The IUPAC name of (3-hydroxypiperidin-1-yl)-[1-(2-methylpropyl)indol-3-yl]methanone (CID 110900774) is (3-hydroxypiperidin-1-yl)-[1-(2-methylpropyl)indol-3-yl]methanone.
What is the SMILES notation for (3-hydroxypiperidin-1-yl)-[1-(2-methylpropyl)indol-3-yl]methanone?
The canonical SMILES for (3-hydroxypiperidin-1-yl)-[1-(2-methylpropyl)indol-3-yl]methanone is CC(C)Cn1cc(C(=O)N2CCCC(O)C2)c2ccccc21.
What is the InChIKey of (3-hydroxypiperidin-1-yl)-[1-(2-methylpropyl)indol-3-yl]methanone?
The InChIKey is YRFVBMRCWUQBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-13(2)10-20-12-16(15-7-3-4-8-17(15)20)18(22)19-9-5-6-14(21)11-19/h3-4,7-8,12-14,21H,5-6,9-11H2,1-2H3.
What are the key properties of (3-hydroxypiperidin-1-yl)-[1-(2-methylpropyl)indol-3-yl]methanone?
(3-hydroxypiperidin-1-yl)-[1-(2-methylpropyl)indol-3-yl]methanone has a molecular weight of 300.40 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxypiperidin-1-yl)-[1-(2-methylpropyl)indol-3-yl]methanone is sourced from PubChem (CID 110900774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).