N,N-diethyl-1-[(4-methoxy-3-methylphenyl)methyl]piperidine-3-carboxamide

C19H30N2O2 — CID 2838671

IUPACN,N-diethyl-1-[(4-methoxy-3-methylphenyl)methyl]piperidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(Cc2ccc(OC)c(C)c2)C1
InChIInChI=1S/C19H30N2O2/c1-5-21(6-2)19(22)17-8-7-11-20(14-17)13-16-9-10-18(23-4)15(3)12-16/h9-10,12,17H,5-8,11,13-14H2,1-4H3
InChIKeyPZVIJFZLBVKERF-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.08
Rot. Bonds6

About N,N-diethyl-1-[(4-methoxy-3-methylphenyl)methyl]piperidine-3-carboxamide

N,N-diethyl-1-[(4-methoxy-3-methylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 2838671) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is N,N-diethyl-1-[(4-methoxy-3-methylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1-[(4-methoxy-3-methylphenyl)methyl]piperidine-3-carboxamide
PubChem CID2838671
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC NameN,N-diethyl-1-[(4-methoxy-3-methylphenyl)methyl]piperidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(Cc2ccc(OC)c(C)c2)C1
InChIInChI=1S/C19H30N2O2/c1-5-21(6-2)19(22)17-8-7-11-20(14-17)13-16-9-10-18(23-4)15(3)12-16/h9-10,12,17H,5-8,11,13-14H2,1-4H3
InChIKeyPZVIJFZLBVKERF-UHFFFAOYSA-N
XLogP3.08
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[(4-methoxy-3-methylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of N,N-diethyl-1-[(4-methoxy-3-methylphenyl)methyl]piperidine-3-carboxamide (CID 2838671) is N,N-diethyl-1-[(4-methoxy-3-methylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N,N-diethyl-1-[(4-methoxy-3-methylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N,N-diethyl-1-[(4-methoxy-3-methylphenyl)methyl]piperidine-3-carboxamide is CCN(CC)C(=O)C1CCCN(Cc2ccc(OC)c(C)c2)C1.
What is the InChIKey of N,N-diethyl-1-[(4-methoxy-3-methylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is PZVIJFZLBVKERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-5-21(6-2)19(22)17-8-7-11-20(14-17)13-16-9-10-18(23-4)15(3)12-16/h9-10,12,17H,5-8,11,13-14H2,1-4H3.
What are the key properties of N,N-diethyl-1-[(4-methoxy-3-methylphenyl)methyl]piperidine-3-carboxamide?
N,N-diethyl-1-[(4-methoxy-3-methylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 318.46 g/mol, XLogP of 3.08, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[(4-methoxy-3-methylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 2838671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).