2-[4-(2-methylpropoxy)piperidin-1-yl]-N-[3-(2-oxoazepan-1-yl)propyl]acetamide

C20H37N3O3 — CID 87022124

IUPAC2-[4-(2-methylpropoxy)piperidin-1-yl]-N-[3-(2-oxoazepan-1-yl)propyl]acetamide
SMILESCC(C)COC1CCN(CC(=O)NCCCN2CCCCCC2=O)CC1
InChIInChI=1S/C20H37N3O3/c1-17(2)16-26-18-8-13-22(14-9-18)15-19(24)21-10-6-12-23-11-5-3-4-7-20(23)25/h17-18H,3-16H2,1-2H3,(H,21,24)
InChIKeyHMQAPDKQLWJSNT-UHFFFAOYSA-N
MW367.53 g/mol
LogP2.03
Rot. Bonds9

About 2-[4-(2-methylpropoxy)piperidin-1-yl]-N-[3-(2-oxoazepan-1-yl)propyl]acetamide

2-[4-(2-methylpropoxy)piperidin-1-yl]-N-[3-(2-oxoazepan-1-yl)propyl]acetamide (PubChem CID 87022124) has the molecular formula C20H37N3O3 and a molecular weight of 367.53 g/mol. Its IUPAC name is 2-[4-(2-methylpropoxy)piperidin-1-yl]-N-[3-(2-oxoazepan-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-[4-(2-methylpropoxy)piperidin-1-yl]-N-[3-(2-oxoazepan-1-yl)propyl]acetamide
PubChem CID87022124
Molecular FormulaC20H37N3O3
Molecular Weight367.53 g/mol
Exact Mass367.28
IUPAC Name2-[4-(2-methylpropoxy)piperidin-1-yl]-N-[3-(2-oxoazepan-1-yl)propyl]acetamide
SMILESCC(C)COC1CCN(CC(=O)NCCCN2CCCCCC2=O)CC1
InChIInChI=1S/C20H37N3O3/c1-17(2)16-26-18-8-13-22(14-9-18)15-19(24)21-10-6-12-23-11-5-3-4-7-20(23)25/h17-18H,3-16H2,1-2H3,(H,21,24)
InChIKeyHMQAPDKQLWJSNT-UHFFFAOYSA-N
XLogP2.03
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.53
LogP ≤ 52.03
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-[4-(2-methylpropoxy)piperidin-1-yl]-N-[3-(2-oxoazepan-1-yl)propyl]acetamide?
The IUPAC name of 2-[4-(2-methylpropoxy)piperidin-1-yl]-N-[3-(2-oxoazepan-1-yl)propyl]acetamide (CID 87022124) is 2-[4-(2-methylpropoxy)piperidin-1-yl]-N-[3-(2-oxoazepan-1-yl)propyl]acetamide.
What is the SMILES notation for 2-[4-(2-methylpropoxy)piperidin-1-yl]-N-[3-(2-oxoazepan-1-yl)propyl]acetamide?
The canonical SMILES for 2-[4-(2-methylpropoxy)piperidin-1-yl]-N-[3-(2-oxoazepan-1-yl)propyl]acetamide is CC(C)COC1CCN(CC(=O)NCCCN2CCCCCC2=O)CC1.
What is the InChIKey of 2-[4-(2-methylpropoxy)piperidin-1-yl]-N-[3-(2-oxoazepan-1-yl)propyl]acetamide?
The InChIKey is HMQAPDKQLWJSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N3O3/c1-17(2)16-26-18-8-13-22(14-9-18)15-19(24)21-10-6-12-23-11-5-3-4-7-20(23)25/h17-18H,3-16H2,1-2H3,(H,21,24).
What are the key properties of 2-[4-(2-methylpropoxy)piperidin-1-yl]-N-[3-(2-oxoazepan-1-yl)propyl]acetamide?
2-[4-(2-methylpropoxy)piperidin-1-yl]-N-[3-(2-oxoazepan-1-yl)propyl]acetamide has a molecular weight of 367.53 g/mol, XLogP of 2.03, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylpropoxy)piperidin-1-yl]-N-[3-(2-oxoazepan-1-yl)propyl]acetamide is sourced from PubChem (CID 87022124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).