3-N-methyl-3-N-[3-(4-methylphenoxy)propyl]piperidine-1,3-dicarboxamide

C18H27N3O3 — CID 70730280

IUPAC3-N-methyl-3-N-[3-(4-methylphenoxy)propyl]piperidine-1,3-dicarboxamide
SMILESCc1ccc(OCCCN(C)C(=O)C2CCCN(C(N)=O)C2)cc1
InChIInChI=1S/C18H27N3O3/c1-14-6-8-16(9-7-14)24-12-4-10-20(2)17(22)15-5-3-11-21(13-15)18(19)23/h6-9,15H,3-5,10-13H2,1-2H3,(H2,19,23)
InChIKeyGPSSFLHGUMQTTG-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.01
Rot. Bonds6

About 3-N-methyl-3-N-[3-(4-methylphenoxy)propyl]piperidine-1,3-dicarboxamide

3-N-methyl-3-N-[3-(4-methylphenoxy)propyl]piperidine-1,3-dicarboxamide (PubChem CID 70730280) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 3-N-methyl-3-N-[3-(4-methylphenoxy)propyl]piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-methyl-3-N-[3-(4-methylphenoxy)propyl]piperidine-1,3-dicarboxamide
PubChem CID70730280
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name3-N-methyl-3-N-[3-(4-methylphenoxy)propyl]piperidine-1,3-dicarboxamide
SMILESCc1ccc(OCCCN(C)C(=O)C2CCCN(C(N)=O)C2)cc1
InChIInChI=1S/C18H27N3O3/c1-14-6-8-16(9-7-14)24-12-4-10-20(2)17(22)15-5-3-11-21(13-15)18(19)23/h6-9,15H,3-5,10-13H2,1-2H3,(H2,19,23)
InChIKeyGPSSFLHGUMQTTG-UHFFFAOYSA-N
XLogP2.01
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-3-N-[3-(4-methylphenoxy)propyl]piperidine-1,3-dicarboxamide?
The IUPAC name of 3-N-methyl-3-N-[3-(4-methylphenoxy)propyl]piperidine-1,3-dicarboxamide (CID 70730280) is 3-N-methyl-3-N-[3-(4-methylphenoxy)propyl]piperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-methyl-3-N-[3-(4-methylphenoxy)propyl]piperidine-1,3-dicarboxamide?
The canonical SMILES for 3-N-methyl-3-N-[3-(4-methylphenoxy)propyl]piperidine-1,3-dicarboxamide is Cc1ccc(OCCCN(C)C(=O)C2CCCN(C(N)=O)C2)cc1.
What is the InChIKey of 3-N-methyl-3-N-[3-(4-methylphenoxy)propyl]piperidine-1,3-dicarboxamide?
The InChIKey is GPSSFLHGUMQTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-14-6-8-16(9-7-14)24-12-4-10-20(2)17(22)15-5-3-11-21(13-15)18(19)23/h6-9,15H,3-5,10-13H2,1-2H3,(H2,19,23).
What are the key properties of 3-N-methyl-3-N-[3-(4-methylphenoxy)propyl]piperidine-1,3-dicarboxamide?
3-N-methyl-3-N-[3-(4-methylphenoxy)propyl]piperidine-1,3-dicarboxamide has a molecular weight of 333.43 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-3-N-[3-(4-methylphenoxy)propyl]piperidine-1,3-dicarboxamide is sourced from PubChem (CID 70730280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).