4-methyl-N-[2-(2-methylphenyl)ethyl]piperidine-4-carboxamide

C16H24N2O — CID 79749001

IUPAC4-methyl-N-[2-(2-methylphenyl)ethyl]piperidine-4-carboxamide
SMILESCc1ccccc1CCNC(=O)C1(C)CCNCC1
InChIInChI=1S/C16H24N2O/c1-13-5-3-4-6-14(13)7-10-18-15(19)16(2)8-11-17-12-9-16/h3-6,17H,7-12H2,1-2H3,(H,18,19)
InChIKeyMPUURVDYWOUGDH-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.04
Rot. Bonds4

About 4-methyl-N-[2-(2-methylphenyl)ethyl]piperidine-4-carboxamide

4-methyl-N-[2-(2-methylphenyl)ethyl]piperidine-4-carboxamide (PubChem CID 79749001) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 4-methyl-N-[2-(2-methylphenyl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[2-(2-methylphenyl)ethyl]piperidine-4-carboxamide
PubChem CID79749001
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name4-methyl-N-[2-(2-methylphenyl)ethyl]piperidine-4-carboxamide
SMILESCc1ccccc1CCNC(=O)C1(C)CCNCC1
InChIInChI=1S/C16H24N2O/c1-13-5-3-4-6-14(13)7-10-18-15(19)16(2)8-11-17-12-9-16/h3-6,17H,7-12H2,1-2H3,(H,18,19)
InChIKeyMPUURVDYWOUGDH-UHFFFAOYSA-N
XLogP2.04
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-[2-(2-methylphenyl)ethyl]piperidine-3-carboxamide
CID 79749345
4-methyl-N-[2-(2-propoxyphenyl)ethyl]piperidine-4-carboxamide
CID 72840141
1-(hydroxymethyl)-N-[2-(2-methylphenyl)ethyl]cyclopropane-1-carboxamide
CID 115182408
N-[2-(2-methoxyphenyl)ethyl]-3-methylpyrrolidine-3-carboxamide
CID 103808122
2-ethyl-N-[2-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 83072984
4-methyl-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide
CID 55177553
1-methyl-N-[(2-methylphenyl)methyl]cyclohexane-1-carboxamide
CID 134107417
3-methyl-N-[1-(2-methylphenyl)propan-2-yl]pyrrolidine-3-carboxamide
CID 55165528
(3R)-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 92864096
1-[2-(2-methylphenyl)ethylcarbamoylamino]cyclopropane-1-carboxylic acid
CID 79756956
N-[2-(2-methylphenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119688197
1-[(4-hydroxyoxan-4-yl)methyl]-3-[2-(2-methylphenyl)ethyl]urea
CID 110936098

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(2-methylphenyl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 4-methyl-N-[2-(2-methylphenyl)ethyl]piperidine-4-carboxamide (CID 79749001) is 4-methyl-N-[2-(2-methylphenyl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 4-methyl-N-[2-(2-methylphenyl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 4-methyl-N-[2-(2-methylphenyl)ethyl]piperidine-4-carboxamide is Cc1ccccc1CCNC(=O)C1(C)CCNCC1.
What is the InChIKey of 4-methyl-N-[2-(2-methylphenyl)ethyl]piperidine-4-carboxamide?
The InChIKey is MPUURVDYWOUGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-13-5-3-4-6-14(13)7-10-18-15(19)16(2)8-11-17-12-9-16/h3-6,17H,7-12H2,1-2H3,(H,18,19).
What are the key properties of 4-methyl-N-[2-(2-methylphenyl)ethyl]piperidine-4-carboxamide?
4-methyl-N-[2-(2-methylphenyl)ethyl]piperidine-4-carboxamide has a molecular weight of 260.38 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(2-methylphenyl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 79749001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).