1-cycloheptyl-N-methyl-N-[2-(4-methylphenoxy)ethyl]-6-oxopiperidine-3-carboxamide

C23H34N2O3 — CID 45178689

IUPAC1-cycloheptyl-N-methyl-N-[2-(4-methylphenoxy)ethyl]-6-oxopiperidine-3-carboxamide
SMILESCc1ccc(OCCN(C)C(=O)C2CCC(=O)N(C3CCCCCC3)C2)cc1
InChIInChI=1S/C23H34N2O3/c1-18-9-12-21(13-10-18)28-16-15-24(2)23(27)19-11-14-22(26)25(17-19)20-7-5-3-4-6-8-20/h9-10,12-13,19-20H,3-8,11,14-17H2,1-2H3
InChIKeyWLAMTGYBENANKO-UHFFFAOYSA-N
MW386.54 g/mol
LogP3.79
Rot. Bonds6

About 1-cycloheptyl-N-methyl-N-[2-(4-methylphenoxy)ethyl]-6-oxopiperidine-3-carboxamide

1-cycloheptyl-N-methyl-N-[2-(4-methylphenoxy)ethyl]-6-oxopiperidine-3-carboxamide (PubChem CID 45178689) has the molecular formula C23H34N2O3 and a molecular weight of 386.54 g/mol. Its IUPAC name is 1-cycloheptyl-N-methyl-N-[2-(4-methylphenoxy)ethyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-cycloheptyl-N-methyl-N-[2-(4-methylphenoxy)ethyl]-6-oxopiperidine-3-carboxamide
PubChem CID45178689
Molecular FormulaC23H34N2O3
Molecular Weight386.54 g/mol
Exact Mass386.26
IUPAC Name1-cycloheptyl-N-methyl-N-[2-(4-methylphenoxy)ethyl]-6-oxopiperidine-3-carboxamide
SMILESCc1ccc(OCCN(C)C(=O)C2CCC(=O)N(C3CCCCCC3)C2)cc1
InChIInChI=1S/C23H34N2O3/c1-18-9-12-21(13-10-18)28-16-15-24(2)23(27)19-11-14-22(26)25(17-19)20-7-5-3-4-6-8-20/h9-10,12-13,19-20H,3-8,11,14-17H2,1-2H3
InChIKeyWLAMTGYBENANKO-UHFFFAOYSA-N
XLogP3.79
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-cyclopentyl-N-methyl-N-[3-(3-methylphenoxy)propyl]-5-oxopyrrolidine-3-carboxamide
CID 97116300
3-N-methyl-3-N-[3-(4-methylphenoxy)propyl]piperidine-1,3-dicarboxamide
CID 70730280
(3R)-1-cycloheptyl-N-methyl-6-oxo-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide
CID 26328640
(3S)-1-cycloheptyl-N-methyl-N-(oxan-4-ylmethyl)-6-oxopiperidine-3-carboxamide
CID 42395113
(3S)-N-[(2-aminopyrimidin-5-yl)methyl]-1-cyclopentyl-N-methyl-6-oxopiperidine-3-carboxamide
CID 97115885
(3S)-3-N-[2-(4-fluorophenoxy)ethyl]-3-N-methylpiperidine-1,3-dicarboxamide
CID 31793508
1-cyclopentyl-N-[4-[2-(dimethylamino)ethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 87006886
2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 47012630
N-methyl-N-[2-(4-methylphenoxy)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119274400
3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 55431045
N-[2-(4-bromophenoxy)ethyl]-N-methylcyclopropanecarboxamide
CID 60629010
(4R)-N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 95415189

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-N-methyl-N-[2-(4-methylphenoxy)ethyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-cycloheptyl-N-methyl-N-[2-(4-methylphenoxy)ethyl]-6-oxopiperidine-3-carboxamide (CID 45178689) is 1-cycloheptyl-N-methyl-N-[2-(4-methylphenoxy)ethyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-cycloheptyl-N-methyl-N-[2-(4-methylphenoxy)ethyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-cycloheptyl-N-methyl-N-[2-(4-methylphenoxy)ethyl]-6-oxopiperidine-3-carboxamide is Cc1ccc(OCCN(C)C(=O)C2CCC(=O)N(C3CCCCCC3)C2)cc1.
What is the InChIKey of 1-cycloheptyl-N-methyl-N-[2-(4-methylphenoxy)ethyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is WLAMTGYBENANKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O3/c1-18-9-12-21(13-10-18)28-16-15-24(2)23(27)19-11-14-22(26)25(17-19)20-7-5-3-4-6-8-20/h9-10,12-13,19-20H,3-8,11,14-17H2,1-2H3.
What are the key properties of 1-cycloheptyl-N-methyl-N-[2-(4-methylphenoxy)ethyl]-6-oxopiperidine-3-carboxamide?
1-cycloheptyl-N-methyl-N-[2-(4-methylphenoxy)ethyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 386.54 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-N-methyl-N-[2-(4-methylphenoxy)ethyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 45178689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).