3-[1-[3-(1-methoxycyclohexyl)propyl]-3,4-dimethylpiperidin-4-yl]benzamide

C24H38N2O2 — CID 11440581

IUPAC3-[1-[3-(1-methoxycyclohexyl)propyl]-3,4-dimethylpiperidin-4-yl]benzamide
SMILESCOC1(CCCN2CCC(C)(c3cccc(C(N)=O)c3)C(C)C2)CCCCC1
InChIInChI=1S/C24H38N2O2/c1-19-18-26(15-8-13-24(28-3)11-5-4-6-12-24)16-14-23(19,2)21-10-7-9-20(17-21)22(25)27/h7,9-10,17,19H,4-6,8,11-16,18H2,1-3H3,(H2,25,27)
InChIKeyLDJWFNFHYIGWME-UHFFFAOYSA-N
MW386.58 g/mol
LogP4.51
Rot. Bonds7

About 3-[1-[3-(1-methoxycyclohexyl)propyl]-3,4-dimethylpiperidin-4-yl]benzamide

3-[1-[3-(1-methoxycyclohexyl)propyl]-3,4-dimethylpiperidin-4-yl]benzamide (PubChem CID 11440581) has the molecular formula C24H38N2O2 and a molecular weight of 386.58 g/mol. Its IUPAC name is 3-[1-[3-(1-methoxycyclohexyl)propyl]-3,4-dimethylpiperidin-4-yl]benzamide.

Molecular Properties

Compound Name3-[1-[3-(1-methoxycyclohexyl)propyl]-3,4-dimethylpiperidin-4-yl]benzamide
PubChem CID11440581
Molecular FormulaC24H38N2O2
Molecular Weight386.58 g/mol
Exact Mass386.29
IUPAC Name3-[1-[3-(1-methoxycyclohexyl)propyl]-3,4-dimethylpiperidin-4-yl]benzamide
SMILESCOC1(CCCN2CCC(C)(c3cccc(C(N)=O)c3)C(C)C2)CCCCC1
InChIInChI=1S/C24H38N2O2/c1-19-18-26(15-8-13-24(28-3)11-5-4-6-12-24)16-14-23(19,2)21-10-7-9-20(17-21)22(25)27/h7,9-10,17,19H,4-6,8,11-16,18H2,1-3H3,(H2,25,27)
InChIKeyLDJWFNFHYIGWME-UHFFFAOYSA-N
XLogP4.51
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.58
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(1-methoxycyclohexyl)propyl]-3,4-dimethylpiperidin-4-yl]benzamide?
The IUPAC name of 3-[1-[3-(1-methoxycyclohexyl)propyl]-3,4-dimethylpiperidin-4-yl]benzamide (CID 11440581) is 3-[1-[3-(1-methoxycyclohexyl)propyl]-3,4-dimethylpiperidin-4-yl]benzamide.
What is the SMILES notation for 3-[1-[3-(1-methoxycyclohexyl)propyl]-3,4-dimethylpiperidin-4-yl]benzamide?
The canonical SMILES for 3-[1-[3-(1-methoxycyclohexyl)propyl]-3,4-dimethylpiperidin-4-yl]benzamide is COC1(CCCN2CCC(C)(c3cccc(C(N)=O)c3)C(C)C2)CCCCC1.
What is the InChIKey of 3-[1-[3-(1-methoxycyclohexyl)propyl]-3,4-dimethylpiperidin-4-yl]benzamide?
The InChIKey is LDJWFNFHYIGWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N2O2/c1-19-18-26(15-8-13-24(28-3)11-5-4-6-12-24)16-14-23(19,2)21-10-7-9-20(17-21)22(25)27/h7,9-10,17,19H,4-6,8,11-16,18H2,1-3H3,(H2,25,27).
What are the key properties of 3-[1-[3-(1-methoxycyclohexyl)propyl]-3,4-dimethylpiperidin-4-yl]benzamide?
3-[1-[3-(1-methoxycyclohexyl)propyl]-3,4-dimethylpiperidin-4-yl]benzamide has a molecular weight of 386.58 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(1-methoxycyclohexyl)propyl]-3,4-dimethylpiperidin-4-yl]benzamide is sourced from PubChem (CID 11440581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).