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

C18H28N2O2 — CID 72840141

IUPAC4-methyl-N-[2-(2-propoxyphenyl)ethyl]piperidine-4-carboxamide
SMILESCCCOc1ccccc1CCNC(=O)C1(C)CCNCC1
InChIInChI=1S/C18H28N2O2/c1-3-14-22-16-7-5-4-6-15(16)8-11-20-17(21)18(2)9-12-19-13-10-18/h4-7,19H,3,8-14H2,1-2H3,(H,20,21)
InChIKeyOKSGDUXXHMZDGP-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.52
Rot. Bonds7

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

4-methyl-N-[2-(2-propoxyphenyl)ethyl]piperidine-4-carboxamide (PubChem CID 72840141) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 4-methyl-N-[2-(2-propoxyphenyl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[2-(2-propoxyphenyl)ethyl]piperidine-4-carboxamide
PubChem CID72840141
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name4-methyl-N-[2-(2-propoxyphenyl)ethyl]piperidine-4-carboxamide
SMILESCCCOc1ccccc1CCNC(=O)C1(C)CCNCC1
InChIInChI=1S/C18H28N2O2/c1-3-14-22-16-7-5-4-6-15(16)8-11-20-17(21)18(2)9-12-19-13-10-18/h4-7,19H,3,8-14H2,1-2H3,(H,20,21)
InChIKeyOKSGDUXXHMZDGP-UHFFFAOYSA-N
XLogP2.52
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[2-(2-methylphenyl)ethyl]piperidine-4-carboxamide
CID 79749001
N-[2-(2-methoxyphenyl)ethyl]-3-methylpyrrolidine-3-carboxamide
CID 103808122
(3S)-N-[3-(2-propoxyphenyl)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95715961
4-methyl-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide
CID 55177553
4-methyl-N-(2-thiophen-3-ylethyl)piperidine-4-carboxamide
CID 63122358
3-methyl-N-[2-(2-methylphenyl)ethyl]piperidine-3-carboxamide
CID 79749345
(2S)-2-methyl-N-[2-(2-propoxyphenyl)ethyl]-3-pyrazol-1-ylpropanamide
CID 164640614
1-[2-(2-ethoxyphenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea
CID 3255337
4-(aminomethyl)-N-[2-(2-ethoxyphenyl)ethyl]oxane-4-carboxamide
CID 120930913
1-[(3R,4R)-3-hydroxypiperidin-4-yl]-3-[3-(2-propoxyphenyl)propyl]urea;hydrochloride
CID 154913447
1-[2-(2-ethylphenoxy)ethyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 112971672
4-(methoxymethyl)-N-[2-(2-phenylphenoxy)ethyl]piperidine-4-carboxamide
CID 120626270

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(2-propoxyphenyl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 4-methyl-N-[2-(2-propoxyphenyl)ethyl]piperidine-4-carboxamide (CID 72840141) is 4-methyl-N-[2-(2-propoxyphenyl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 4-methyl-N-[2-(2-propoxyphenyl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 4-methyl-N-[2-(2-propoxyphenyl)ethyl]piperidine-4-carboxamide is CCCOc1ccccc1CCNC(=O)C1(C)CCNCC1.
What is the InChIKey of 4-methyl-N-[2-(2-propoxyphenyl)ethyl]piperidine-4-carboxamide?
The InChIKey is OKSGDUXXHMZDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-3-14-22-16-7-5-4-6-15(16)8-11-20-17(21)18(2)9-12-19-13-10-18/h4-7,19H,3,8-14H2,1-2H3,(H,20,21).
What are the key properties of 4-methyl-N-[2-(2-propoxyphenyl)ethyl]piperidine-4-carboxamide?
4-methyl-N-[2-(2-propoxyphenyl)ethyl]piperidine-4-carboxamide has a molecular weight of 304.43 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(2-propoxyphenyl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 72840141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).