4-N-benzyl-4-N-methyl-1-N-[3-[(3R)-oxolan-3-yl]propyl]piperidine-1,4-dicarboxamide

C22H33N3O3 — CID 126441118

IUPAC4-N-benzyl-4-N-methyl-1-N-[3-[(3R)-oxolan-3-yl]propyl]piperidine-1,4-dicarboxamide
SMILESCN(Cc1ccccc1)C(=O)C1CCN(C(=O)NCCC[C@@H]2CCOC2)CC1
InChIInChI=1S/C22H33N3O3/c1-24(16-18-6-3-2-4-7-18)21(26)20-9-13-25(14-10-20)22(27)23-12-5-8-19-11-15-28-17-19/h2-4,6-7,19-20H,5,8-17H2,1H3,(H,23,27)/t19-/m1/s1
InChIKeyJKNSJPYIQCIQJZ-LJQANCHMSA-N
MW387.52 g/mol
LogP2.88
Rot. Bonds7

About 4-N-benzyl-4-N-methyl-1-N-[3-[(3R)-oxolan-3-yl]propyl]piperidine-1,4-dicarboxamide

4-N-benzyl-4-N-methyl-1-N-[3-[(3R)-oxolan-3-yl]propyl]piperidine-1,4-dicarboxamide (PubChem CID 126441118) has the molecular formula C22H33N3O3 and a molecular weight of 387.52 g/mol. Its IUPAC name is 4-N-benzyl-4-N-methyl-1-N-[3-[(3R)-oxolan-3-yl]propyl]piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-benzyl-4-N-methyl-1-N-[3-[(3R)-oxolan-3-yl]propyl]piperidine-1,4-dicarboxamide
PubChem CID126441118
Molecular FormulaC22H33N3O3
Molecular Weight387.52 g/mol
Exact Mass387.25
IUPAC Name4-N-benzyl-4-N-methyl-1-N-[3-[(3R)-oxolan-3-yl]propyl]piperidine-1,4-dicarboxamide
SMILESCN(Cc1ccccc1)C(=O)C1CCN(C(=O)NCCC[C@@H]2CCOC2)CC1
InChIInChI=1S/C22H33N3O3/c1-24(16-18-6-3-2-4-7-18)21(26)20-9-13-25(14-10-20)22(27)23-12-5-8-19-11-15-28-17-19/h2-4,6-7,19-20H,5,8-17H2,1H3,(H,23,27)/t19-/m1/s1
InChIKeyJKNSJPYIQCIQJZ-LJQANCHMSA-N
XLogP2.88
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.52
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-N-benzyl-4-N-methyl-1-N-[3-[(3R)-oxolan-3-yl]propyl]piperidine-1,4-dicarboxamide with MolForge

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Related Compounds

4-N,4-N-dimethyl-1-N-[3-(2-phenylethoxy)propyl]piperidine-1,4-dicarboxamide
CID 87036562
4-(2,6-dimethyl-4-pyridinyl)-N-[3-[(3R)-oxolan-3-yl]propyl]piperazine-1-carboxamide
CID 126426190
1-(4-methylbenzoyl)-N-[3-[(3R)-oxolan-3-yl]propyl]piperidine-4-carboxamide
CID 125179458
N-benzyl-1-(furan-3-carbonyl)-N-methylpiperidine-4-carboxamide
CID 35552274
N-benzyl-1-[1-(2-chloroacetyl)piperidin-4-yl]-N-methylpiperidine-4-carboxamide
CID 42693619
N-benzyl-1-(4-chlorobenzoyl)-N-methylpiperidine-4-carboxamide
CID 17119215
N-benzyl-1-ethylsulfonyl-N-methylpiperidine-4-carboxamide
CID 17027116
(3R)-1-N-[2-[benzyl(methyl)amino]ethyl]pyrrolidine-1,3-dicarboxamide
CID 94577627
N-benzyl-N-methyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 113004142
2-[benzyl(methyl)amino]-N-[3-[[(3S)-oxolan-3-yl]methoxy]propyl]acetamide
CID 95635358
1-(5-phenylpentylcarbamoyl)piperidine-4-carboxylic acid
CID 122000468
N-benzyl-1-[1-(cyclobutanecarbonyl)piperidin-4-yl]-N-methylpiperidine-4-carboxamide
CID 42693651

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-4-N-methyl-1-N-[3-[(3R)-oxolan-3-yl]propyl]piperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-benzyl-4-N-methyl-1-N-[3-[(3R)-oxolan-3-yl]propyl]piperidine-1,4-dicarboxamide (CID 126441118) is 4-N-benzyl-4-N-methyl-1-N-[3-[(3R)-oxolan-3-yl]propyl]piperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-benzyl-4-N-methyl-1-N-[3-[(3R)-oxolan-3-yl]propyl]piperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-benzyl-4-N-methyl-1-N-[3-[(3R)-oxolan-3-yl]propyl]piperidine-1,4-dicarboxamide is CN(Cc1ccccc1)C(=O)C1CCN(C(=O)NCCC[C@@H]2CCOC2)CC1.
What is the InChIKey of 4-N-benzyl-4-N-methyl-1-N-[3-[(3R)-oxolan-3-yl]propyl]piperidine-1,4-dicarboxamide?
The InChIKey is JKNSJPYIQCIQJZ-LJQANCHMSA-N. The full InChI is InChI=1S/C22H33N3O3/c1-24(16-18-6-3-2-4-7-18)21(26)20-9-13-25(14-10-20)22(27)23-12-5-8-19-11-15-28-17-19/h2-4,6-7,19-20H,5,8-17H2,1H3,(H,23,27)/t19-/m1/s1.
What are the key properties of 4-N-benzyl-4-N-methyl-1-N-[3-[(3R)-oxolan-3-yl]propyl]piperidine-1,4-dicarboxamide?
4-N-benzyl-4-N-methyl-1-N-[3-[(3R)-oxolan-3-yl]propyl]piperidine-1,4-dicarboxamide has a molecular weight of 387.52 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-4-N-methyl-1-N-[3-[(3R)-oxolan-3-yl]propyl]piperidine-1,4-dicarboxamide is sourced from PubChem (CID 126441118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).