3-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)propanamide

C22H32N2O2 — CID 45215439

IUPAC3-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)propanamide
SMILESO=C(CCC1CCN(C2Cc3ccccc3C2)CC1)NCC1CCCO1
InChIInChI=1S/C22H32N2O2/c25-22(23-16-21-6-3-13-26-21)8-7-17-9-11-24(12-10-17)20-14-18-4-1-2-5-19(18)15-20/h1-2,4-5,17,20-21H,3,6-16H2,(H,23,25)
InChIKeyVARBIRVSTFQQTH-UHFFFAOYSA-N
MW356.51 g/mol
LogP2.94
Rot. Bonds6

About 3-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)propanamide

3-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 45215439) has the molecular formula C22H32N2O2 and a molecular weight of 356.51 g/mol. Its IUPAC name is 3-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)propanamide
PubChem CID45215439
Molecular FormulaC22H32N2O2
Molecular Weight356.51 g/mol
Exact Mass356.25
IUPAC Name3-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)propanamide
SMILESO=C(CCC1CCN(C2Cc3ccccc3C2)CC1)NCC1CCCO1
InChIInChI=1S/C22H32N2O2/c25-22(23-16-21-6-3-13-26-21)8-7-17-9-11-24(12-10-17)20-14-18-4-1-2-5-19(18)15-20/h1-2,4-5,17,20-21H,3,6-16H2,(H,23,25)
InChIKeyVARBIRVSTFQQTH-UHFFFAOYSA-N
XLogP2.94
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-{[1-(2,3-dihydro-1H-inden-2-yl)-3-piperidinyl]methyl}-N-(2-methoxyethyl)succinamide
CID 23723809
1'-(2-methylbenzyl)-N-(tetrahydro-2-furanylmethyl)-1,4'-bipiperidine-4-carboxamide
CID 24794058
Urea, 1-(2-morpholinobutyryl)-3-(1-indanyl)-
CID 110875
N-(2,3-Dihydro-1H-inden-1-yl)-4-(morpholin-4-yl)butanimidic acid
CID 110883
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]oxolane-2-carboxamide
CID 45847116
(2R,3aS,7aS)-N-cyclopropyl-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97366525
(2S,3aS,7aS)-N-cyclobutyl-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97366729
N-[(1S)-2-amino-1-methyl-2-oxoethyl]-2-[(2R,6S)-2,6-dimethyl-4-morpholinyl]-2-indanecarboxamide
CID 56884927
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-2-(3-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 25307608
1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 25446634
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 25455941
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]cyclohexene-1-carboxamide
CID 42116943

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of 3-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)propanamide (CID 45215439) is 3-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for 3-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)propanamide is O=C(CCC1CCN(C2Cc3ccccc3C2)CC1)NCC1CCCO1.
What is the InChIKey of 3-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is VARBIRVSTFQQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O2/c25-22(23-16-21-6-3-13-26-21)8-7-17-9-11-24(12-10-17)20-14-18-4-1-2-5-19(18)15-20/h1-2,4-5,17,20-21H,3,6-16H2,(H,23,25).
What are the key properties of 3-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)propanamide?
3-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 356.51 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 45215439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).