1-[(2,4-dimethylphenyl)methyl]-N,N-diethylpiperidine-3-carboxamide

C19H30N2O — CID 2838188

IUPAC1-[(2,4-dimethylphenyl)methyl]-N,N-diethylpiperidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(Cc2ccc(C)cc2C)C1
InChIInChI=1S/C19H30N2O/c1-5-21(6-2)19(22)18-8-7-11-20(14-18)13-17-10-9-15(3)12-16(17)4/h9-10,12,18H,5-8,11,13-14H2,1-4H3
InChIKeySVIAQKPKYLBSCN-UHFFFAOYSA-N
MW302.46 g/mol
LogP3.38
Rot. Bonds5

About 1-[(2,4-dimethylphenyl)methyl]-N,N-diethylpiperidine-3-carboxamide

1-[(2,4-dimethylphenyl)methyl]-N,N-diethylpiperidine-3-carboxamide (PubChem CID 2838188) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is 1-[(2,4-dimethylphenyl)methyl]-N,N-diethylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2,4-dimethylphenyl)methyl]-N,N-diethylpiperidine-3-carboxamide
PubChem CID2838188
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC Name1-[(2,4-dimethylphenyl)methyl]-N,N-diethylpiperidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(Cc2ccc(C)cc2C)C1
InChIInChI=1S/C19H30N2O/c1-5-21(6-2)19(22)18-8-7-11-20(14-18)13-17-10-9-15(3)12-16(17)4/h9-10,12,18H,5-8,11,13-14H2,1-4H3
InChIKeySVIAQKPKYLBSCN-UHFFFAOYSA-N
XLogP3.38
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethylphenyl)methyl]-N,N-diethylpiperidine-3-carboxamide?
The IUPAC name of 1-[(2,4-dimethylphenyl)methyl]-N,N-diethylpiperidine-3-carboxamide (CID 2838188) is 1-[(2,4-dimethylphenyl)methyl]-N,N-diethylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[(2,4-dimethylphenyl)methyl]-N,N-diethylpiperidine-3-carboxamide?
The canonical SMILES for 1-[(2,4-dimethylphenyl)methyl]-N,N-diethylpiperidine-3-carboxamide is CCN(CC)C(=O)C1CCCN(Cc2ccc(C)cc2C)C1.
What is the InChIKey of 1-[(2,4-dimethylphenyl)methyl]-N,N-diethylpiperidine-3-carboxamide?
The InChIKey is SVIAQKPKYLBSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-5-21(6-2)19(22)18-8-7-11-20(14-18)13-17-10-9-15(3)12-16(17)4/h9-10,12,18H,5-8,11,13-14H2,1-4H3.
What are the key properties of 1-[(2,4-dimethylphenyl)methyl]-N,N-diethylpiperidine-3-carboxamide?
1-[(2,4-dimethylphenyl)methyl]-N,N-diethylpiperidine-3-carboxamide has a molecular weight of 302.46 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethylphenyl)methyl]-N,N-diethylpiperidine-3-carboxamide is sourced from PubChem (CID 2838188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).