2-(1-methylpiperidin-2-yl)-N-[3-(1-methylpiperidin-4-yl)oxypropyl]acetamide

C17H33N3O2 — CID 122565628

IUPAC2-(1-methylpiperidin-2-yl)-N-[3-(1-methylpiperidin-4-yl)oxypropyl]acetamide
SMILESCN1CCC(OCCCNC(=O)CC2CCCCN2C)CC1
InChIInChI=1S/C17H33N3O2/c1-19-11-7-16(8-12-19)22-13-5-9-18-17(21)14-15-6-3-4-10-20(15)2/h15-16H,3-14H2,1-2H3,(H,18,21)
InChIKeyVJVFVCHSPRYOOL-UHFFFAOYSA-N
MW311.47 g/mol
LogP1.48
Rot. Bonds7

About 2-(1-methylpiperidin-2-yl)-N-[3-(1-methylpiperidin-4-yl)oxypropyl]acetamide

2-(1-methylpiperidin-2-yl)-N-[3-(1-methylpiperidin-4-yl)oxypropyl]acetamide (PubChem CID 122565628) has the molecular formula C17H33N3O2 and a molecular weight of 311.47 g/mol. Its IUPAC name is 2-(1-methylpiperidin-2-yl)-N-[3-(1-methylpiperidin-4-yl)oxypropyl]acetamide.

Molecular Properties

Compound Name2-(1-methylpiperidin-2-yl)-N-[3-(1-methylpiperidin-4-yl)oxypropyl]acetamide
PubChem CID122565628
Molecular FormulaC17H33N3O2
Molecular Weight311.47 g/mol
Exact Mass311.26
IUPAC Name2-(1-methylpiperidin-2-yl)-N-[3-(1-methylpiperidin-4-yl)oxypropyl]acetamide
SMILESCN1CCC(OCCCNC(=O)CC2CCCCN2C)CC1
InChIInChI=1S/C17H33N3O2/c1-19-11-7-16(8-12-19)22-13-5-9-18-17(21)14-15-6-3-4-10-20(15)2/h15-16H,3-14H2,1-2H3,(H,18,21)
InChIKeyVJVFVCHSPRYOOL-UHFFFAOYSA-N
XLogP1.48
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 51.48
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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Related Compounds

formic acid;1-methyl-N-[3-(1-methylpiperidin-4-yl)oxypropyl]azepane-2-carboxamide
CID 154912664
2-(dimethylcarbamoylamino)-N-[3-(1-methylpiperidin-4-yl)oxypropyl]acetamide
CID 122564451
N-(3-cyclohexyloxypropyl)-2-(prop-2-ynylamino)acetamide
CID 79286966
N-(3-methoxypropyl)-2-[(1-methylpyrrolidin-2-yl)methylamino]acetamide
CID 106025675
2-(2-chloro-6-fluorophenyl)-N-[3-(1-methylpiperidin-4-yl)oxypropyl]acetamide
CID 91792907
N-methyl-3-(1-methylpiperidin-4-yl)oxypropan-1-amine
CID 62442293
N-(2-aminopropyl)-2-(1-methylpiperidin-2-yl)acetamide
CID 110834402
N-(3-ethoxypropyl)-2-(1-methylpiperidin-4-yl)acetamide
CID 99969773
N-(3-cyclohexyloxypropyl)-1-methylpiperidin-4-amine
CID 28720054
2-methyl-N-[3-(1-methylpiperidin-4-yl)oxypropyl]propan-1-amine
CID 62442619
N-tert-butyl-2-(1-methylpiperidin-2-yl)acetamide
CID 110855384
N-(3-cyclohexyloxypropyl)-2-piperidin-4-ylacetamide
CID 61275990

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-2-yl)-N-[3-(1-methylpiperidin-4-yl)oxypropyl]acetamide?
The IUPAC name of 2-(1-methylpiperidin-2-yl)-N-[3-(1-methylpiperidin-4-yl)oxypropyl]acetamide (CID 122565628) is 2-(1-methylpiperidin-2-yl)-N-[3-(1-methylpiperidin-4-yl)oxypropyl]acetamide.
What is the SMILES notation for 2-(1-methylpiperidin-2-yl)-N-[3-(1-methylpiperidin-4-yl)oxypropyl]acetamide?
The canonical SMILES for 2-(1-methylpiperidin-2-yl)-N-[3-(1-methylpiperidin-4-yl)oxypropyl]acetamide is CN1CCC(OCCCNC(=O)CC2CCCCN2C)CC1.
What is the InChIKey of 2-(1-methylpiperidin-2-yl)-N-[3-(1-methylpiperidin-4-yl)oxypropyl]acetamide?
The InChIKey is VJVFVCHSPRYOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O2/c1-19-11-7-16(8-12-19)22-13-5-9-18-17(21)14-15-6-3-4-10-20(15)2/h15-16H,3-14H2,1-2H3,(H,18,21).
What are the key properties of 2-(1-methylpiperidin-2-yl)-N-[3-(1-methylpiperidin-4-yl)oxypropyl]acetamide?
2-(1-methylpiperidin-2-yl)-N-[3-(1-methylpiperidin-4-yl)oxypropyl]acetamide has a molecular weight of 311.47 g/mol, XLogP of 1.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-2-yl)-N-[3-(1-methylpiperidin-4-yl)oxypropyl]acetamide is sourced from PubChem (CID 122565628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).