2-[4-(3,5-dimethylpiperidine-1-carbonyl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone

C21H37N3O2 — CID 46384982

IUPAC2-[4-(3,5-dimethylpiperidine-1-carbonyl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)CN2CCC(C(=O)N3CC(C)CC(C)C3)CC2)CC1
InChIInChI=1S/C21H37N3O2/c1-16-4-10-23(11-5-16)20(25)15-22-8-6-19(7-9-22)21(26)24-13-17(2)12-18(3)14-24/h16-19H,4-15H2,1-3H3
InChIKeyXPTVRCXDTJTEEW-UHFFFAOYSA-N
MW363.55 g/mol
LogP2.46
Rot. Bonds3

About 2-[4-(3,5-dimethylpiperidine-1-carbonyl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone

2-[4-(3,5-dimethylpiperidine-1-carbonyl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone (PubChem CID 46384982) has the molecular formula C21H37N3O2 and a molecular weight of 363.55 g/mol. Its IUPAC name is 2-[4-(3,5-dimethylpiperidine-1-carbonyl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-(3,5-dimethylpiperidine-1-carbonyl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
PubChem CID46384982
Molecular FormulaC21H37N3O2
Molecular Weight363.55 g/mol
Exact Mass363.29
IUPAC Name2-[4-(3,5-dimethylpiperidine-1-carbonyl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)CN2CCC(C(=O)N3CC(C)CC(C)C3)CC2)CC1
InChIInChI=1S/C21H37N3O2/c1-16-4-10-23(11-5-16)20(25)15-22-8-6-19(7-9-22)21(26)24-13-17(2)12-18(3)14-24/h16-19H,4-15H2,1-3H3
InChIKeyXPTVRCXDTJTEEW-UHFFFAOYSA-N
XLogP2.46
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.55
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,5-dimethylpiperidine-1-carbonyl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[4-(3,5-dimethylpiperidine-1-carbonyl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone (CID 46384982) is 2-[4-(3,5-dimethylpiperidine-1-carbonyl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[4-(3,5-dimethylpiperidine-1-carbonyl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[4-(3,5-dimethylpiperidine-1-carbonyl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone is CC1CCN(C(=O)CN2CCC(C(=O)N3CC(C)CC(C)C3)CC2)CC1.
What is the InChIKey of 2-[4-(3,5-dimethylpiperidine-1-carbonyl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is XPTVRCXDTJTEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N3O2/c1-16-4-10-23(11-5-16)20(25)15-22-8-6-19(7-9-22)21(26)24-13-17(2)12-18(3)14-24/h16-19H,4-15H2,1-3H3.
What are the key properties of 2-[4-(3,5-dimethylpiperidine-1-carbonyl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone?
2-[4-(3,5-dimethylpiperidine-1-carbonyl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 363.55 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,5-dimethylpiperidine-1-carbonyl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 46384982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).