4-methyl-N-[3-methyl-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]cyclohexane-1-carboxamide

C23H41N3O2 — CID 3238870

IUPAC4-methyl-N-[3-methyl-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]cyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)NC(C(=O)N2CCC(N3CCCCC3)CC2)C(C)C)CC1
InChIInChI=1S/C23H41N3O2/c1-17(2)21(24-22(27)19-9-7-18(3)8-10-19)23(28)26-15-11-20(12-16-26)25-13-5-4-6-14-25/h17-21H,4-16H2,1-3H3,(H,24,27)
InChIKeyUZHXZIXQZACHRL-UHFFFAOYSA-N
MW391.60 g/mol
LogP3.43
Rot. Bonds5

About 4-methyl-N-[3-methyl-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]cyclohexane-1-carboxamide

4-methyl-N-[3-methyl-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]cyclohexane-1-carboxamide (PubChem CID 3238870) has the molecular formula C23H41N3O2 and a molecular weight of 391.60 g/mol. Its IUPAC name is 4-methyl-N-[3-methyl-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[3-methyl-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]cyclohexane-1-carboxamide
PubChem CID3238870
Molecular FormulaC23H41N3O2
Molecular Weight391.60 g/mol
Exact Mass391.32
IUPAC Name4-methyl-N-[3-methyl-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]cyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)NC(C(=O)N2CCC(N3CCCCC3)CC2)C(C)C)CC1
InChIInChI=1S/C23H41N3O2/c1-17(2)21(24-22(27)19-9-7-18(3)8-10-19)23(28)26-15-11-20(12-16-26)25-13-5-4-6-14-25/h17-21H,4-16H2,1-3H3,(H,24,27)
InChIKeyUZHXZIXQZACHRL-UHFFFAOYSA-N
XLogP3.43
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.60
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-methyl-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]cyclohexane-1-carboxamide?
The IUPAC name of 4-methyl-N-[3-methyl-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]cyclohexane-1-carboxamide (CID 3238870) is 4-methyl-N-[3-methyl-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-methyl-N-[3-methyl-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-methyl-N-[3-methyl-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]cyclohexane-1-carboxamide is CC1CCC(C(=O)NC(C(=O)N2CCC(N3CCCCC3)CC2)C(C)C)CC1.
What is the InChIKey of 4-methyl-N-[3-methyl-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]cyclohexane-1-carboxamide?
The InChIKey is UZHXZIXQZACHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41N3O2/c1-17(2)21(24-22(27)19-9-7-18(3)8-10-19)23(28)26-15-11-20(12-16-26)25-13-5-4-6-14-25/h17-21H,4-16H2,1-3H3,(H,24,27).
What are the key properties of 4-methyl-N-[3-methyl-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]cyclohexane-1-carboxamide?
4-methyl-N-[3-methyl-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]cyclohexane-1-carboxamide has a molecular weight of 391.60 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-methyl-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 3238870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).