1-[1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide

C22H39N3O2 — CID 26402228

IUPAC1-[1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)NC(=O)C1CCN(C2CCN(C(=O)C3(C)CCCCC3)CC2)CC1
InChIInChI=1S/C22H39N3O2/c1-17(2)23-20(26)18-7-13-24(14-8-18)19-9-15-25(16-10-19)21(27)22(3)11-5-4-6-12-22/h17-19H,4-16H2,1-3H3,(H,23,26)
InChIKeyHKPZESRIUOAQCN-UHFFFAOYSA-N
MW377.57 g/mol
LogP3.18
Rot. Bonds4

About 1-[1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide

1-[1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide (PubChem CID 26402228) has the molecular formula C22H39N3O2 and a molecular weight of 377.57 g/mol. Its IUPAC name is 1-[1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide
PubChem CID26402228
Molecular FormulaC22H39N3O2
Molecular Weight377.57 g/mol
Exact Mass377.30
IUPAC Name1-[1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)NC(=O)C1CCN(C2CCN(C(=O)C3(C)CCCCC3)CC2)CC1
InChIInChI=1S/C22H39N3O2/c1-17(2)23-20(26)18-7-13-24(14-8-18)19-9-15-25(16-10-19)21(27)22(3)11-5-4-6-12-22/h17-19H,4-16H2,1-3H3,(H,23,26)
InChIKeyHKPZESRIUOAQCN-UHFFFAOYSA-N
XLogP3.18
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.57
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide (CID 26402228) is 1-[1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide is CC(C)NC(=O)C1CCN(C2CCN(C(=O)C3(C)CCCCC3)CC2)CC1.
What is the InChIKey of 1-[1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is HKPZESRIUOAQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39N3O2/c1-17(2)23-20(26)18-7-13-24(14-8-18)19-9-15-25(16-10-19)21(27)22(3)11-5-4-6-12-22/h17-19H,4-16H2,1-3H3,(H,23,26).
What are the key properties of 1-[1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide?
1-[1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 377.57 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 26402228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).