3-[3-[(3,4-dimethylphenyl)methylcarbamoyl]phenyl]-N-ethylpiperidine-1-carboxamide

C24H31N3O2 — CID 50788844

IUPAC3-[3-[(3,4-dimethylphenyl)methylcarbamoyl]phenyl]-N-ethylpiperidine-1-carboxamide
SMILESCCNC(=O)N1CCCC(c2cccc(C(=O)NCc3ccc(C)c(C)c3)c2)C1
InChIInChI=1S/C24H31N3O2/c1-4-25-24(29)27-12-6-9-22(16-27)20-7-5-8-21(14-20)23(28)26-15-19-11-10-17(2)18(3)13-19/h5,7-8,10-11,13-14,22H,4,6,9,12,15-16H2,1-3H3,(H,25,29)(H,26,28)
InChIKeyZFCWZLVDLMHDCP-UHFFFAOYSA-N
MW393.53 g/mol
LogP4.14
Rot. Bonds5

About 3-[3-[(3,4-dimethylphenyl)methylcarbamoyl]phenyl]-N-ethylpiperidine-1-carboxamide

3-[3-[(3,4-dimethylphenyl)methylcarbamoyl]phenyl]-N-ethylpiperidine-1-carboxamide (PubChem CID 50788844) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 3-[3-[(3,4-dimethylphenyl)methylcarbamoyl]phenyl]-N-ethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name3-[3-[(3,4-dimethylphenyl)methylcarbamoyl]phenyl]-N-ethylpiperidine-1-carboxamide
PubChem CID50788844
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name3-[3-[(3,4-dimethylphenyl)methylcarbamoyl]phenyl]-N-ethylpiperidine-1-carboxamide
SMILESCCNC(=O)N1CCCC(c2cccc(C(=O)NCc3ccc(C)c(C)c3)c2)C1
InChIInChI=1S/C24H31N3O2/c1-4-25-24(29)27-12-6-9-22(16-27)20-7-5-8-21(14-20)23(28)26-15-19-11-10-17(2)18(3)13-19/h5,7-8,10-11,13-14,22H,4,6,9,12,15-16H2,1-3H3,(H,25,29)(H,26,28)
InChIKeyZFCWZLVDLMHDCP-UHFFFAOYSA-N
XLogP4.14
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[(3,4-dimethylphenyl)methylcarbamoyl]phenyl]-N-ethylpiperidine-1-carboxamide?
The IUPAC name of 3-[3-[(3,4-dimethylphenyl)methylcarbamoyl]phenyl]-N-ethylpiperidine-1-carboxamide (CID 50788844) is 3-[3-[(3,4-dimethylphenyl)methylcarbamoyl]phenyl]-N-ethylpiperidine-1-carboxamide.
What is the SMILES notation for 3-[3-[(3,4-dimethylphenyl)methylcarbamoyl]phenyl]-N-ethylpiperidine-1-carboxamide?
The canonical SMILES for 3-[3-[(3,4-dimethylphenyl)methylcarbamoyl]phenyl]-N-ethylpiperidine-1-carboxamide is CCNC(=O)N1CCCC(c2cccc(C(=O)NCc3ccc(C)c(C)c3)c2)C1.
What is the InChIKey of 3-[3-[(3,4-dimethylphenyl)methylcarbamoyl]phenyl]-N-ethylpiperidine-1-carboxamide?
The InChIKey is ZFCWZLVDLMHDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-4-25-24(29)27-12-6-9-22(16-27)20-7-5-8-21(14-20)23(28)26-15-19-11-10-17(2)18(3)13-19/h5,7-8,10-11,13-14,22H,4,6,9,12,15-16H2,1-3H3,(H,25,29)(H,26,28).
What are the key properties of 3-[3-[(3,4-dimethylphenyl)methylcarbamoyl]phenyl]-N-ethylpiperidine-1-carboxamide?
3-[3-[(3,4-dimethylphenyl)methylcarbamoyl]phenyl]-N-ethylpiperidine-1-carboxamide has a molecular weight of 393.53 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(3,4-dimethylphenyl)methylcarbamoyl]phenyl]-N-ethylpiperidine-1-carboxamide is sourced from PubChem (CID 50788844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).