2,2-dimethyl-N-[[(3R)-1-(quinolin-4-ylmethyl)piperidin-3-yl]methyl]propanamide

C21H29N3O — CID 95210439

IUPAC2,2-dimethyl-N-[[(3R)-1-(quinolin-4-ylmethyl)piperidin-3-yl]methyl]propanamide
SMILESCC(C)(C)C(=O)NC[C@H]1CCCN(Cc2ccnc3ccccc23)C1
InChIInChI=1S/C21H29N3O/c1-21(2,3)20(25)23-13-16-7-6-12-24(14-16)15-17-10-11-22-19-9-5-4-8-18(17)19/h4-5,8-11,16H,6-7,12-15H2,1-3H3,(H,23,25)/t16-/m1/s1
InChIKeyXPIVWXSNDYHNMR-MRXNPFEDSA-N
MW339.48 g/mol
LogP3.61
Rot. Bonds4

About 2,2-dimethyl-N-[[(3R)-1-(quinolin-4-ylmethyl)piperidin-3-yl]methyl]propanamide

2,2-dimethyl-N-[[(3R)-1-(quinolin-4-ylmethyl)piperidin-3-yl]methyl]propanamide (PubChem CID 95210439) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is 2,2-dimethyl-N-[[(3R)-1-(quinolin-4-ylmethyl)piperidin-3-yl]methyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[[(3R)-1-(quinolin-4-ylmethyl)piperidin-3-yl]methyl]propanamide
PubChem CID95210439
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC Name2,2-dimethyl-N-[[(3R)-1-(quinolin-4-ylmethyl)piperidin-3-yl]methyl]propanamide
SMILESCC(C)(C)C(=O)NC[C@H]1CCCN(Cc2ccnc3ccccc23)C1
InChIInChI=1S/C21H29N3O/c1-21(2,3)20(25)23-13-16-7-6-12-24(14-16)15-17-10-11-22-19-9-5-4-8-18(17)19/h4-5,8-11,16H,6-7,12-15H2,1-3H3,(H,23,25)/t16-/m1/s1
InChIKeyXPIVWXSNDYHNMR-MRXNPFEDSA-N
XLogP3.61
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,2-dimethyl-N-[[(3R)-1-(quinolin-4-ylmethyl)piperidin-3-yl]methyl]propanamide with MolForge

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Related Compounds

4-[(3-chloropiperidin-1-yl)methyl]quinoline
CID 79240792
methyl 1-(quinolin-4-ylmethyl)piperidine-3-carboxylate
CID 115537032
2-pyrrolidin-1-yl-N-[[1-(quinolin-4-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 131922151
2-[(3R)-3-hydroxypiperidin-1-yl]-N-(quinolin-4-ylmethyl)acetamide
CID 125175300
4-[(3-methyl-1,4-diazepan-1-yl)methyl]quinoline
CID 79240395
2,2-dimethyl-N-[[(3R)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]propanamide
CID 95193385
N-cyclohexyl-3-[(3S)-1-(quinolin-4-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 92576546
2,2-dimethyl-N-[[(3S)-1-[(2-propan-2-ylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]methyl]propanamide
CID 95202302
N-[(1-benzylpiperidin-3-yl)methyl]acetamide
CID 10444612
1-cyclobutyl-N-(quinolin-4-ylmethyl)methanamine
CID 63850221
1-[3-[(3S)-1-(quinolin-4-ylmethyl)piperidin-3-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone
CID 95832240
4-phenyl-N-[[1-(pyrimidin-2-ylmethyl)piperidin-3-yl]methyl]benzamide
CID 72916739

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[[(3R)-1-(quinolin-4-ylmethyl)piperidin-3-yl]methyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[[(3R)-1-(quinolin-4-ylmethyl)piperidin-3-yl]methyl]propanamide (CID 95210439) is 2,2-dimethyl-N-[[(3R)-1-(quinolin-4-ylmethyl)piperidin-3-yl]methyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[[(3R)-1-(quinolin-4-ylmethyl)piperidin-3-yl]methyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[[(3R)-1-(quinolin-4-ylmethyl)piperidin-3-yl]methyl]propanamide is CC(C)(C)C(=O)NC[C@H]1CCCN(Cc2ccnc3ccccc23)C1.
What is the InChIKey of 2,2-dimethyl-N-[[(3R)-1-(quinolin-4-ylmethyl)piperidin-3-yl]methyl]propanamide?
The InChIKey is XPIVWXSNDYHNMR-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H29N3O/c1-21(2,3)20(25)23-13-16-7-6-12-24(14-16)15-17-10-11-22-19-9-5-4-8-18(17)19/h4-5,8-11,16H,6-7,12-15H2,1-3H3,(H,23,25)/t16-/m1/s1.
What are the key properties of 2,2-dimethyl-N-[[(3R)-1-(quinolin-4-ylmethyl)piperidin-3-yl]methyl]propanamide?
2,2-dimethyl-N-[[(3R)-1-(quinolin-4-ylmethyl)piperidin-3-yl]methyl]propanamide has a molecular weight of 339.48 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[[(3R)-1-(quinolin-4-ylmethyl)piperidin-3-yl]methyl]propanamide is sourced from PubChem (CID 95210439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).