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

C27H48N4O2 — CID 46295239

IUPAC2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]acetamide
SMILESO=C(CC1CCN(C(=O)C2CCCCC2)CC1)NCCCN1CCC(N2CCCCC2)CC1
InChIInChI=1S/C27H48N4O2/c32-26(22-23-10-20-31(21-11-23)27(33)24-8-3-1-4-9-24)28-14-7-15-29-18-12-25(13-19-29)30-16-5-2-6-17-30/h23-25H,1-22H2,(H,28,32)
InChIKeyYVTCBQQOJKPXTE-UHFFFAOYSA-N
MW460.71 g/mol
LogP3.65
Rot. Bonds8

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

2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]acetamide (PubChem CID 46295239) has the molecular formula C27H48N4O2 and a molecular weight of 460.71 g/mol. Its IUPAC name is 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]acetamide
PubChem CID46295239
Molecular FormulaC27H48N4O2
Molecular Weight460.71 g/mol
Exact Mass460.38
IUPAC Name2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]acetamide
SMILESO=C(CC1CCN(C(=O)C2CCCCC2)CC1)NCCCN1CCC(N2CCCCC2)CC1
InChIInChI=1S/C27H48N4O2/c32-26(22-23-10-20-31(21-11-23)27(33)24-8-3-1-4-9-24)28-14-7-15-29-18-12-25(13-19-29)30-16-5-2-6-17-30/h23-25H,1-22H2,(H,28,32)
InChIKeyYVTCBQQOJKPXTE-UHFFFAOYSA-N
XLogP3.65
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.71
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(4-piperidin-1-ylpiperidin-1-yl)propyl]acetamide?
The IUPAC name of 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]acetamide (CID 46295239) is 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]acetamide.
What is the SMILES notation for 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]acetamide?
The canonical SMILES for 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]acetamide is O=C(CC1CCN(C(=O)C2CCCCC2)CC1)NCCCN1CCC(N2CCCCC2)CC1.
What is the InChIKey of 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]acetamide?
The InChIKey is YVTCBQQOJKPXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H48N4O2/c32-26(22-23-10-20-31(21-11-23)27(33)24-8-3-1-4-9-24)28-14-7-15-29-18-12-25(13-19-29)30-16-5-2-6-17-30/h23-25H,1-22H2,(H,28,32).
What are the key properties of 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]acetamide?
2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]acetamide has a molecular weight of 460.71 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]acetamide is sourced from PubChem (CID 46295239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).