3-N-benzyl-3-methyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide

C18H27N3O2 — CID 53011223

IUPAC3-N-benzyl-3-methyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
SMILESCC(C)NC(=O)N1CCCC(C)(C(=O)NCc2ccccc2)C1
InChIInChI=1S/C18H27N3O2/c1-14(2)20-17(23)21-11-7-10-18(3,13-21)16(22)19-12-15-8-5-4-6-9-15/h4-6,8-9,14H,7,10-13H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyVVVICFBZWLZZTO-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.52
Rot. Bonds4

About 3-N-benzyl-3-methyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide

3-N-benzyl-3-methyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide (PubChem CID 53011223) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 3-N-benzyl-3-methyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-benzyl-3-methyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
PubChem CID53011223
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name3-N-benzyl-3-methyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
SMILESCC(C)NC(=O)N1CCCC(C)(C(=O)NCc2ccccc2)C1
InChIInChI=1S/C18H27N3O2/c1-14(2)20-17(23)21-11-7-10-18(3,13-21)16(22)19-12-15-8-5-4-6-9-15/h4-6,8-9,14H,7,10-13H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyVVVICFBZWLZZTO-UHFFFAOYSA-N
XLogP2.52
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-N-benzyl-3-methyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide?
The IUPAC name of 3-N-benzyl-3-methyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide (CID 53011223) is 3-N-benzyl-3-methyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-benzyl-3-methyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide?
The canonical SMILES for 3-N-benzyl-3-methyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide is CC(C)NC(=O)N1CCCC(C)(C(=O)NCc2ccccc2)C1.
What is the InChIKey of 3-N-benzyl-3-methyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide?
The InChIKey is VVVICFBZWLZZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-14(2)20-17(23)21-11-7-10-18(3,13-21)16(22)19-12-15-8-5-4-6-9-15/h4-6,8-9,14H,7,10-13H2,1-3H3,(H,19,22)(H,20,23).
What are the key properties of 3-N-benzyl-3-methyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide?
3-N-benzyl-3-methyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide has a molecular weight of 317.43 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-benzyl-3-methyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 53011223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).