N,N-diethyl-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide

C18H28N2O — CID 2838325

IUPACN,N-diethyl-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(Cc2ccccc2C)C1
InChIInChI=1S/C18H28N2O/c1-4-20(5-2)18(21)17-11-8-12-19(14-17)13-16-10-7-6-9-15(16)3/h6-7,9-10,17H,4-5,8,11-14H2,1-3H3
InChIKeyKDSIZDBKLDINCS-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.08
Rot. Bonds5

About N,N-diethyl-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide

N,N-diethyl-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 2838325) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N,N-diethyl-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide
PubChem CID2838325
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN,N-diethyl-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(Cc2ccccc2C)C1
InChIInChI=1S/C18H28N2O/c1-4-20(5-2)18(21)17-11-8-12-19(14-17)13-16-10-7-6-9-15(16)3/h6-7,9-10,17H,4-5,8,11-14H2,1-3H3
InChIKeyKDSIZDBKLDINCS-UHFFFAOYSA-N
XLogP3.08
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of N,N-diethyl-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide (CID 2838325) is N,N-diethyl-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N,N-diethyl-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N,N-diethyl-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide is CCN(CC)C(=O)C1CCCN(Cc2ccccc2C)C1.
What is the InChIKey of N,N-diethyl-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is KDSIZDBKLDINCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-4-20(5-2)18(21)17-11-8-12-19(14-17)13-16-10-7-6-9-15(16)3/h6-7,9-10,17H,4-5,8,11-14H2,1-3H3.
What are the key properties of N,N-diethyl-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide?
N,N-diethyl-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 288.44 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 2838325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).