2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[3-(3-methylpiperidin-1-yl)propyl]acetamide

C23H41N3O2 — CID 46295236

IUPAC2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[3-(3-methylpiperidin-1-yl)propyl]acetamide
SMILESCC1CCCN(CCCNC(=O)CC2CCN(C(=O)C3CCCCC3)CC2)C1
InChIInChI=1S/C23H41N3O2/c1-19-7-5-13-25(18-19)14-6-12-24-22(27)17-20-10-15-26(16-11-20)23(28)21-8-3-2-4-9-21/h19-21H,2-18H2,1H3,(H,24,27)
InChIKeyYHXIXRFCVQQABI-UHFFFAOYSA-N
MW391.60 g/mol
LogP3.43
Rot. Bonds7

About 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[3-(3-methylpiperidin-1-yl)propyl]acetamide

2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[3-(3-methylpiperidin-1-yl)propyl]acetamide (PubChem CID 46295236) has the molecular formula C23H41N3O2 and a molecular weight of 391.60 g/mol. Its IUPAC name is 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[3-(3-methylpiperidin-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[3-(3-methylpiperidin-1-yl)propyl]acetamide
PubChem CID46295236
Molecular FormulaC23H41N3O2
Molecular Weight391.60 g/mol
Exact Mass391.32
IUPAC Name2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[3-(3-methylpiperidin-1-yl)propyl]acetamide
SMILESCC1CCCN(CCCNC(=O)CC2CCN(C(=O)C3CCCCC3)CC2)C1
InChIInChI=1S/C23H41N3O2/c1-19-7-5-13-25(18-19)14-6-12-24-22(27)17-20-10-15-26(16-11-20)23(28)21-8-3-2-4-9-21/h19-21H,2-18H2,1H3,(H,24,27)
InChIKeyYHXIXRFCVQQABI-UHFFFAOYSA-N
XLogP3.43
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[3-(3-methylpiperidin-1-yl)propyl]acetamide?
The IUPAC name of 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[3-(3-methylpiperidin-1-yl)propyl]acetamide (CID 46295236) is 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[3-(3-methylpiperidin-1-yl)propyl]acetamide.
What is the SMILES notation for 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[3-(3-methylpiperidin-1-yl)propyl]acetamide?
The canonical SMILES for 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[3-(3-methylpiperidin-1-yl)propyl]acetamide is CC1CCCN(CCCNC(=O)CC2CCN(C(=O)C3CCCCC3)CC2)C1.
What is the InChIKey of 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[3-(3-methylpiperidin-1-yl)propyl]acetamide?
The InChIKey is YHXIXRFCVQQABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41N3O2/c1-19-7-5-13-25(18-19)14-6-12-24-22(27)17-20-10-15-26(16-11-20)23(28)21-8-3-2-4-9-21/h19-21H,2-18H2,1H3,(H,24,27).
What are the key properties of 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[3-(3-methylpiperidin-1-yl)propyl]acetamide?
2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[3-(3-methylpiperidin-1-yl)propyl]acetamide has a molecular weight of 391.60 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[3-(3-methylpiperidin-1-yl)propyl]acetamide is sourced from PubChem (CID 46295236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).