1-N-benzyl-4-N-(oxan-4-yl)piperidine-1,4-dicarboxamide

C19H27N3O3 — CID 70686704

IUPAC1-N-benzyl-4-N-(oxan-4-yl)piperidine-1,4-dicarboxamide
SMILESO=C(NC1CCOCC1)C1CCN(C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C19H27N3O3/c23-18(21-17-8-12-25-13-9-17)16-6-10-22(11-7-16)19(24)20-14-15-4-2-1-3-5-15/h1-5,16-17H,6-14H2,(H,20,24)(H,21,23)
InChIKeyPGKZHZDOATXCRT-UHFFFAOYSA-N
MW345.44 g/mol
LogP1.90
Rot. Bonds4

About 1-N-benzyl-4-N-(oxan-4-yl)piperidine-1,4-dicarboxamide

1-N-benzyl-4-N-(oxan-4-yl)piperidine-1,4-dicarboxamide (PubChem CID 70686704) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 1-N-benzyl-4-N-(oxan-4-yl)piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-benzyl-4-N-(oxan-4-yl)piperidine-1,4-dicarboxamide
PubChem CID70686704
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name1-N-benzyl-4-N-(oxan-4-yl)piperidine-1,4-dicarboxamide
SMILESO=C(NC1CCOCC1)C1CCN(C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C19H27N3O3/c23-18(21-17-8-12-25-13-9-17)16-6-10-22(11-7-16)19(24)20-14-15-4-2-1-3-5-15/h1-5,16-17H,6-14H2,(H,20,24)(H,21,23)
InChIKeyPGKZHZDOATXCRT-UHFFFAOYSA-N
XLogP1.90
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-benzyl-4-N-cyclopentylpiperidine-1,4-dicarboxamide
CID 3222727
1-N-benzyl-3-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 3222825
2-[1-(4-fluorobenzyl)-3-oxopiperazin-2-yl]-N-methyl-N-(tetrahydro-2H-pyran-4-yl)acetamide
CID 16190619
N1-(2,4-dichlorobenzyl)-N4-(tetrahydro-2H-pyran-4-yl)piperidine-1,4-dicarboxamide
CID 24748562
N-(1-phenylethyl)morpholine-4-carboxamide
CID 3136314
Piperidine-1,4-dicarboxylic acid 1-benzylamide 4-cyclohexylamide
CID 645918
3-(Cyclopropanecarbonyl-amino)-9-aza-bicyclo[3.3.1]nonane-9-carboxylic acid benzylamide
CID 653821
Piperidine-1,4-dicarboxylic acid 1-benzylamide 4-(phenethyl-amide)
CID 3222788
N~3~-benzyl-N~1~,N~1~-dimethylpiperidine-1,3-dicarboxamide
CID 3244897
4-N-[(4-fluorophenyl)methyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 5123397
(S)-2-[3-(1-Benzyl-piperidin-4-yl)-ureido]-3-methyl-pentanoic acid methyl ester
CID 9551642
Ethyl 3-({4-[(4-methylpiperidin-1-YL)methyl]piperidine-1-carbonyl}amino)-3-phenylpropanoate
CID 16033520

Frequently Asked Questions

What is the IUPAC name of 1-N-benzyl-4-N-(oxan-4-yl)piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-benzyl-4-N-(oxan-4-yl)piperidine-1,4-dicarboxamide (CID 70686704) is 1-N-benzyl-4-N-(oxan-4-yl)piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-benzyl-4-N-(oxan-4-yl)piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-benzyl-4-N-(oxan-4-yl)piperidine-1,4-dicarboxamide is O=C(NC1CCOCC1)C1CCN(C(=O)NCc2ccccc2)CC1.
What is the InChIKey of 1-N-benzyl-4-N-(oxan-4-yl)piperidine-1,4-dicarboxamide?
The InChIKey is PGKZHZDOATXCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c23-18(21-17-8-12-25-13-9-17)16-6-10-22(11-7-16)19(24)20-14-15-4-2-1-3-5-15/h1-5,16-17H,6-14H2,(H,20,24)(H,21,23).
What are the key properties of 1-N-benzyl-4-N-(oxan-4-yl)piperidine-1,4-dicarboxamide?
1-N-benzyl-4-N-(oxan-4-yl)piperidine-1,4-dicarboxamide has a molecular weight of 345.44 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-benzyl-4-N-(oxan-4-yl)piperidine-1,4-dicarboxamide is sourced from PubChem (CID 70686704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).