1-N-benzyl-3-N-(2-methylpropyl)piperidine-1,3-dicarboxamide

C18H27N3O2 — CID 3222825

IUPAC1-N-benzyl-3-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
SMILESCC(C)CNC(=O)C1CCCN(C(=O)NCc2ccccc2)C1
InChIInChI=1S/C18H27N3O2/c1-14(2)11-19-17(22)16-9-6-10-21(13-16)18(23)20-12-15-7-4-3-5-8-15/h3-5,7-8,14,16H,6,9-13H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyQXOXVRYPNOBJQX-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.38
Rot. Bonds5

About 1-N-benzyl-3-N-(2-methylpropyl)piperidine-1,3-dicarboxamide

1-N-benzyl-3-N-(2-methylpropyl)piperidine-1,3-dicarboxamide (PubChem CID 3222825) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 1-N-benzyl-3-N-(2-methylpropyl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-benzyl-3-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
PubChem CID3222825
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name1-N-benzyl-3-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
SMILESCC(C)CNC(=O)C1CCCN(C(=O)NCc2ccccc2)C1
InChIInChI=1S/C18H27N3O2/c1-14(2)11-19-17(22)16-9-6-10-21(13-16)18(23)20-12-15-7-4-3-5-8-15/h3-5,7-8,14,16H,6,9-13H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyQXOXVRYPNOBJQX-UHFFFAOYSA-N
XLogP2.38
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 2367271
1-benzylpyrimidine-2,4,6(1H,3H,5H)-trione
CID 268726
(5Z,8Z,11Z,14Z)-N-benzylicosa-5,8,11,14-tetraenamide
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(5Z,8Z,11Z,14Z,17Z)-N-benzylicosa-5,8,11,14,17-pentaenamide
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CID 48576

Frequently Asked Questions

What is the IUPAC name of 1-N-benzyl-3-N-(2-methylpropyl)piperidine-1,3-dicarboxamide?
The IUPAC name of 1-N-benzyl-3-N-(2-methylpropyl)piperidine-1,3-dicarboxamide (CID 3222825) is 1-N-benzyl-3-N-(2-methylpropyl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-benzyl-3-N-(2-methylpropyl)piperidine-1,3-dicarboxamide?
The canonical SMILES for 1-N-benzyl-3-N-(2-methylpropyl)piperidine-1,3-dicarboxamide is CC(C)CNC(=O)C1CCCN(C(=O)NCc2ccccc2)C1.
What is the InChIKey of 1-N-benzyl-3-N-(2-methylpropyl)piperidine-1,3-dicarboxamide?
The InChIKey is QXOXVRYPNOBJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-14(2)11-19-17(22)16-9-6-10-21(13-16)18(23)20-12-15-7-4-3-5-8-15/h3-5,7-8,14,16H,6,9-13H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of 1-N-benzyl-3-N-(2-methylpropyl)piperidine-1,3-dicarboxamide?
1-N-benzyl-3-N-(2-methylpropyl)piperidine-1,3-dicarboxamide has a molecular weight of 317.43 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-benzyl-3-N-(2-methylpropyl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 3222825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).