N-(2,3-dihydro-1H-inden-5-yl)-3-[(3R)-3-methylpiperidin-1-ium-1-yl]propanamide

C18H27N2O+ — CID 7431880

IUPACN-(2,3-dihydro-1H-inden-5-yl)-3-[(3R)-3-methylpiperidin-1-ium-1-yl]propanamide
SMILESC[C@@H]1CCC[NH+](CCC(=O)Nc2ccc3c(c2)CCC3)C1
InChIInChI=1S/C18H26N2O/c1-14-4-3-10-20(13-14)11-9-18(21)19-17-8-7-15-5-2-6-16(15)12-17/h7-8,12,14H,2-6,9-11,13H2,1H3,(H,19,21)/p+1/t14-/m1/s1
InChIKeyLOSBVWVGKPNPKG-CQSZACIVSA-O
MW287.43 g/mol
LogP1.82
Rot. Bonds4

About N-(2,3-dihydro-1H-inden-5-yl)-3-[(3R)-3-methylpiperidin-1-ium-1-yl]propanamide

N-(2,3-dihydro-1H-inden-5-yl)-3-[(3R)-3-methylpiperidin-1-ium-1-yl]propanamide (PubChem CID 7431880) has the molecular formula C18H27N2O+ and a molecular weight of 287.43 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-3-[(3R)-3-methylpiperidin-1-ium-1-yl]propanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-3-[(3R)-3-methylpiperidin-1-ium-1-yl]propanamide
PubChem CID7431880
Molecular FormulaC18H27N2O+
Molecular Weight287.43 g/mol
Exact Mass287.21
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-3-[(3R)-3-methylpiperidin-1-ium-1-yl]propanamide
SMILESC[C@@H]1CCC[NH+](CCC(=O)Nc2ccc3c(c2)CCC3)C1
InChIInChI=1S/C18H26N2O/c1-14-4-3-10-20(13-14)11-9-18(21)19-17-8-7-15-5-2-6-16(15)12-17/h7-8,12,14H,2-6,9-11,13H2,1H3,(H,19,21)/p+1/t14-/m1/s1
InChIKeyLOSBVWVGKPNPKG-CQSZACIVSA-O
XLogP1.82
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze N-(2,3-dihydro-1H-inden-5-yl)-3-[(3R)-3-methylpiperidin-1-ium-1-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,4-dimethylphenyl)-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide
CID 7343858
3-(4-benzylpiperazine-1,4-diium-1-yl)-N-(2,3-dihydro-1H-inden-5-yl)propanamide
CID 4755836
N-(2,5-dimethylphenyl)-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide
CID 7343530
2-[(4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-2-ium-2-yl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 11940212
N-(4-acetamidophenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide
CID 8903579
N-(2,3-dihydro-1H-inden-5-yl)-3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propanamide
CID 771735
N-(2,3-dihydro-1H-inden-5-yl)-3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propanamide
CID 771738
N-(5,6,7,8-tetrahydronaphthalen-2-yl)propanamide
CID 59873074
N-(2,3-dihydro-1H-inden-5-yl)-3-methylsulfonylpropanamide
CID 47160249
N-(3,4-dimethylphenyl)-3-(4-methylpiperidin-1-ium-1-yl)propanamide
CID 4742128
N-(2,3-dihydro-1H-inden-5-yl)-5-hydroxypentanamide
CID 79199175
4-bromo-N-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]benzamide
CID 4805536

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-3-[(3R)-3-methylpiperidin-1-ium-1-yl]propanamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-3-[(3R)-3-methylpiperidin-1-ium-1-yl]propanamide (CID 7431880) is N-(2,3-dihydro-1H-inden-5-yl)-3-[(3R)-3-methylpiperidin-1-ium-1-yl]propanamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-3-[(3R)-3-methylpiperidin-1-ium-1-yl]propanamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-3-[(3R)-3-methylpiperidin-1-ium-1-yl]propanamide is C[C@@H]1CCC[NH+](CCC(=O)Nc2ccc3c(c2)CCC3)C1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-3-[(3R)-3-methylpiperidin-1-ium-1-yl]propanamide?
The InChIKey is LOSBVWVGKPNPKG-CQSZACIVSA-O. The full InChI is InChI=1S/C18H26N2O/c1-14-4-3-10-20(13-14)11-9-18(21)19-17-8-7-15-5-2-6-16(15)12-17/h7-8,12,14H,2-6,9-11,13H2,1H3,(H,19,21)/p+1/t14-/m1/s1.
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-3-[(3R)-3-methylpiperidin-1-ium-1-yl]propanamide?
N-(2,3-dihydro-1H-inden-5-yl)-3-[(3R)-3-methylpiperidin-1-ium-1-yl]propanamide has a molecular weight of 287.43 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-3-[(3R)-3-methylpiperidin-1-ium-1-yl]propanamide is sourced from PubChem (CID 7431880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).