N-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-2-oxopropanamide

C21H30N2O3 — CID 97275119

IUPACN-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-2-oxopropanamide
SMILESCOCCN(C[C@@H]1CCCN(C2Cc3ccccc3C2)C1)C(=O)C(C)=O
InChIInChI=1S/C21H30N2O3/c1-16(24)21(25)23(10-11-26-2)15-17-6-5-9-22(14-17)20-12-18-7-3-4-8-19(18)13-20/h3-4,7-8,17,20H,5-6,9-15H2,1-2H3/t17-/m1/s1
InChIKeyHZRJJDYDYIDXIK-QGZVFWFLSA-N
MW358.48 g/mol
LogP1.93
Rot. Bonds7

About N-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-2-oxopropanamide

N-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-2-oxopropanamide (PubChem CID 97275119) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is N-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-2-oxopropanamide.

Molecular Properties

Compound NameN-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-2-oxopropanamide
PubChem CID97275119
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC NameN-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-2-oxopropanamide
SMILESCOCCN(C[C@@H]1CCCN(C2Cc3ccccc3C2)C1)C(=O)C(C)=O
InChIInChI=1S/C21H30N2O3/c1-16(24)21(25)23(10-11-26-2)15-17-6-5-9-22(14-17)20-12-18-7-3-4-8-19(18)13-20/h3-4,7-8,17,20H,5-6,9-15H2,1-2H3/t17-/m1/s1
InChIKeyHZRJJDYDYIDXIK-QGZVFWFLSA-N
XLogP1.93
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-(2-methoxyethyl)acetamide
CID 97273009
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-1H-pyrrole-2-carboxamide
CID 72902576
2-(benzotriazol-2-yl)-N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)acetamide
CID 45172069
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)pyridazine-4-carboxamide
CID 72930957
N-[[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-1H-imidazole-5-carboxamide
CID 97271061
ethyl 2-[[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl-(2-methoxyethyl)carbamoyl]amino]acetate
CID 25488529
N-[[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-2-methylpyrazole-3-carboxamide
CID 25458245
(E)-N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 45246397
N-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 26332304
N-[[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 25310382
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-(2H-indazol-3-yl)-N-(2-methoxyethyl)acetamide
CID 45203136
(3R)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-ethyl-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 97127259

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-2-oxopropanamide?
The IUPAC name of N-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-2-oxopropanamide (CID 97275119) is N-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-2-oxopropanamide.
What is the SMILES notation for N-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-2-oxopropanamide?
The canonical SMILES for N-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-2-oxopropanamide is COCCN(C[C@@H]1CCCN(C2Cc3ccccc3C2)C1)C(=O)C(C)=O.
What is the InChIKey of N-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-2-oxopropanamide?
The InChIKey is HZRJJDYDYIDXIK-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H30N2O3/c1-16(24)21(25)23(10-11-26-2)15-17-6-5-9-22(14-17)20-12-18-7-3-4-8-19(18)13-20/h3-4,7-8,17,20H,5-6,9-15H2,1-2H3/t17-/m1/s1.
What are the key properties of N-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-2-oxopropanamide?
N-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-2-oxopropanamide has a molecular weight of 358.48 g/mol, XLogP of 1.93, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-2-oxopropanamide is sourced from PubChem (CID 97275119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).