N-[1-(1-hydroxy-2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-2-methylpropanamide

C18H26N2O2 — CID 84598887

IUPACN-[1-(1-hydroxy-2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC1CCCN(C2Cc3ccccc3C2O)C1
InChIInChI=1S/C18H26N2O2/c1-12(2)18(22)19-14-7-5-9-20(11-14)16-10-13-6-3-4-8-15(13)17(16)21/h3-4,6,8,12,14,16-17,21H,5,7,9-11H2,1-2H3,(H,19,22)
InChIKeyNNIHMVMLMDBNMA-UHFFFAOYSA-N
MW302.42 g/mol
LogP1.88
Rot. Bonds3

About N-[1-(1-hydroxy-2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-2-methylpropanamide

N-[1-(1-hydroxy-2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-2-methylpropanamide (PubChem CID 84598887) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-[1-(1-hydroxy-2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-(1-hydroxy-2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-2-methylpropanamide
PubChem CID84598887
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC NameN-[1-(1-hydroxy-2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC1CCCN(C2Cc3ccccc3C2O)C1
InChIInChI=1S/C18H26N2O2/c1-12(2)18(22)19-14-7-5-9-20(11-14)16-10-13-6-3-4-8-15(13)17(16)21/h3-4,6,8,12,14,16-17,21H,5,7,9-11H2,1-2H3,(H,19,22)
InChIKeyNNIHMVMLMDBNMA-UHFFFAOYSA-N
XLogP1.88
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-N-(3-methylbutyl)piperidine-4-carboxamide
CID 97335580
2-(3,4-dimethylpiperazin-1-yl)-2,3-dihydro-1H-inden-1-ol
CID 63636093
2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,3-dihydro-1H-inden-1-ol
CID 79930431
2-[3-(2-hydroxyethoxy)piperidin-1-yl]-2,3-dihydro-1H-inden-1-ol
CID 86814537
2-(4,4-dimethylpiperidin-1-yl)-2,3-dihydro-1H-inden-1-ol
CID 62930073
[1-(9H-fluoren-9-yl)piperidin-3-yl]carbamic acid
CID 126674115
2-methyl-N-[1-(2-phenylacetyl)piperidin-3-yl]propanamide
CID 127187955
N-[(3R)-1-(2-hydroxybenzoyl)piperidin-3-yl]-2-methylpropanamide
CID 94800761
N-[1-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]piperidin-4-yl]propane-1-sulfonamide
CID 97335574
2-(3-ethyl-4-methylpiperazin-1-yl)-2,3-dihydro-1H-inden-1-ol
CID 63634001
N-[1-[2-(2-fluorophenyl)-2-methylpropanoyl]piperidin-3-yl]-2-methylpropanamide
CID 136580259
2-methyl-N-[(3R)-1-[(2S)-3-methylsulfanyl-2-phenylpropanoyl]piperidin-3-yl]propanamide
CID 97216590

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-hydroxy-2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-2-methylpropanamide?
The IUPAC name of N-[1-(1-hydroxy-2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-2-methylpropanamide (CID 84598887) is N-[1-(1-hydroxy-2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-2-methylpropanamide.
What is the SMILES notation for N-[1-(1-hydroxy-2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-2-methylpropanamide?
The canonical SMILES for N-[1-(1-hydroxy-2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-2-methylpropanamide is CC(C)C(=O)NC1CCCN(C2Cc3ccccc3C2O)C1.
What is the InChIKey of N-[1-(1-hydroxy-2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-2-methylpropanamide?
The InChIKey is NNIHMVMLMDBNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-12(2)18(22)19-14-7-5-9-20(11-14)16-10-13-6-3-4-8-15(13)17(16)21/h3-4,6,8,12,14,16-17,21H,5,7,9-11H2,1-2H3,(H,19,22).
What are the key properties of N-[1-(1-hydroxy-2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-2-methylpropanamide?
N-[1-(1-hydroxy-2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-2-methylpropanamide has a molecular weight of 302.42 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-hydroxy-2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-2-methylpropanamide is sourced from PubChem (CID 84598887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).