1-N,1-N-dimethyl-3-N-(1-phenylethyl)piperidine-1,3-dicarboxamide

C17H25N3O2 — CID 4651696

IUPAC1-N,1-N-dimethyl-3-N-(1-phenylethyl)piperidine-1,3-dicarboxamide
SMILESCC(NC(=O)C1CCCN(C(=O)N(C)C)C1)c1ccccc1
InChIInChI=1S/C17H25N3O2/c1-13(14-8-5-4-6-9-14)18-16(21)15-10-7-11-20(12-15)17(22)19(2)3/h4-6,8-9,13,15H,7,10-12H2,1-3H3,(H,18,21)
InChIKeyMTNXIWRYFQBLLY-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.26
Rot. Bonds3

About 1-N,1-N-dimethyl-3-N-(1-phenylethyl)piperidine-1,3-dicarboxamide

1-N,1-N-dimethyl-3-N-(1-phenylethyl)piperidine-1,3-dicarboxamide (PubChem CID 4651696) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-N,1-N-dimethyl-3-N-(1-phenylethyl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N,1-N-dimethyl-3-N-(1-phenylethyl)piperidine-1,3-dicarboxamide
PubChem CID4651696
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name1-N,1-N-dimethyl-3-N-(1-phenylethyl)piperidine-1,3-dicarboxamide
SMILESCC(NC(=O)C1CCCN(C(=O)N(C)C)C1)c1ccccc1
InChIInChI=1S/C17H25N3O2/c1-13(14-8-5-4-6-9-14)18-16(21)15-10-7-11-20(12-15)17(22)19(2)3/h4-6,8-9,13,15H,7,10-12H2,1-3H3,(H,18,21)
InChIKeyMTNXIWRYFQBLLY-UHFFFAOYSA-N
XLogP2.26
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dimethyl-3-N-(1-phenylethyl)piperidine-1,3-dicarboxamide?
The IUPAC name of 1-N,1-N-dimethyl-3-N-(1-phenylethyl)piperidine-1,3-dicarboxamide (CID 4651696) is 1-N,1-N-dimethyl-3-N-(1-phenylethyl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N,1-N-dimethyl-3-N-(1-phenylethyl)piperidine-1,3-dicarboxamide?
The canonical SMILES for 1-N,1-N-dimethyl-3-N-(1-phenylethyl)piperidine-1,3-dicarboxamide is CC(NC(=O)C1CCCN(C(=O)N(C)C)C1)c1ccccc1.
What is the InChIKey of 1-N,1-N-dimethyl-3-N-(1-phenylethyl)piperidine-1,3-dicarboxamide?
The InChIKey is MTNXIWRYFQBLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-13(14-8-5-4-6-9-14)18-16(21)15-10-7-11-20(12-15)17(22)19(2)3/h4-6,8-9,13,15H,7,10-12H2,1-3H3,(H,18,21).
What are the key properties of 1-N,1-N-dimethyl-3-N-(1-phenylethyl)piperidine-1,3-dicarboxamide?
1-N,1-N-dimethyl-3-N-(1-phenylethyl)piperidine-1,3-dicarboxamide has a molecular weight of 303.41 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dimethyl-3-N-(1-phenylethyl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 4651696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).