1-N,1-N-dimethyl-3-N-[2-(4-methylphenyl)ethyl]piperidine-1,3-dicarboxamide

C18H27N3O2 — CID 4651575

IUPAC1-N,1-N-dimethyl-3-N-[2-(4-methylphenyl)ethyl]piperidine-1,3-dicarboxamide
SMILESCc1ccc(CCNC(=O)C2CCCN(C(=O)N(C)C)C2)cc1
InChIInChI=1S/C18H27N3O2/c1-14-6-8-15(9-7-14)10-11-19-17(22)16-5-4-12-21(13-16)18(23)20(2)3/h6-9,16H,4-5,10-13H2,1-3H3,(H,19,22)
InChIKeyASPHWZMSXHDTCO-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.05
Rot. Bonds4

About 1-N,1-N-dimethyl-3-N-[2-(4-methylphenyl)ethyl]piperidine-1,3-dicarboxamide

1-N,1-N-dimethyl-3-N-[2-(4-methylphenyl)ethyl]piperidine-1,3-dicarboxamide (PubChem CID 4651575) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 1-N,1-N-dimethyl-3-N-[2-(4-methylphenyl)ethyl]piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N,1-N-dimethyl-3-N-[2-(4-methylphenyl)ethyl]piperidine-1,3-dicarboxamide
PubChem CID4651575
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name1-N,1-N-dimethyl-3-N-[2-(4-methylphenyl)ethyl]piperidine-1,3-dicarboxamide
SMILESCc1ccc(CCNC(=O)C2CCCN(C(=O)N(C)C)C2)cc1
InChIInChI=1S/C18H27N3O2/c1-14-6-8-15(9-7-14)10-11-19-17(22)16-5-4-12-21(13-16)18(23)20(2)3/h6-9,16H,4-5,10-13H2,1-3H3,(H,19,22)
InChIKeyASPHWZMSXHDTCO-UHFFFAOYSA-N
XLogP2.05
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.05
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-[2-(4-methylphenyl)ethyl]piperidine-1,3-dicarboxamide?
The IUPAC name of 1-N,1-N-dimethyl-3-N-[2-(4-methylphenyl)ethyl]piperidine-1,3-dicarboxamide (CID 4651575) is 1-N,1-N-dimethyl-3-N-[2-(4-methylphenyl)ethyl]piperidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N,1-N-dimethyl-3-N-[2-(4-methylphenyl)ethyl]piperidine-1,3-dicarboxamide?
The canonical SMILES for 1-N,1-N-dimethyl-3-N-[2-(4-methylphenyl)ethyl]piperidine-1,3-dicarboxamide is Cc1ccc(CCNC(=O)C2CCCN(C(=O)N(C)C)C2)cc1.
What is the InChIKey of 1-N,1-N-dimethyl-3-N-[2-(4-methylphenyl)ethyl]piperidine-1,3-dicarboxamide?
The InChIKey is ASPHWZMSXHDTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-14-6-8-15(9-7-14)10-11-19-17(22)16-5-4-12-21(13-16)18(23)20(2)3/h6-9,16H,4-5,10-13H2,1-3H3,(H,19,22).
What are the key properties of 1-N,1-N-dimethyl-3-N-[2-(4-methylphenyl)ethyl]piperidine-1,3-dicarboxamide?
1-N,1-N-dimethyl-3-N-[2-(4-methylphenyl)ethyl]piperidine-1,3-dicarboxamide has a molecular weight of 317.43 g/mol, XLogP of 2.05, 4 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-[2-(4-methylphenyl)ethyl]piperidine-1,3-dicarboxamide is sourced from PubChem (CID 4651575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).