2-[3-[(tert-butylamino)methyl]piperidin-1-yl]-N-(3-methoxypropyl)acetamide

C16H33N3O2 — CID 63848836

IUPAC2-[3-[(tert-butylamino)methyl]piperidin-1-yl]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN1CCCC(CNC(C)(C)C)C1
InChIInChI=1S/C16H33N3O2/c1-16(2,3)18-11-14-7-5-9-19(12-14)13-15(20)17-8-6-10-21-4/h14,18H,5-13H2,1-4H3,(H,17,20)
InChIKeyDTVUSARTKACQAO-UHFFFAOYSA-N
MW299.46 g/mol
LogP1.24
Rot. Bonds8

About 2-[3-[(tert-butylamino)methyl]piperidin-1-yl]-N-(3-methoxypropyl)acetamide

2-[3-[(tert-butylamino)methyl]piperidin-1-yl]-N-(3-methoxypropyl)acetamide (PubChem CID 63848836) has the molecular formula C16H33N3O2 and a molecular weight of 299.46 g/mol. Its IUPAC name is 2-[3-[(tert-butylamino)methyl]piperidin-1-yl]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[3-[(tert-butylamino)methyl]piperidin-1-yl]-N-(3-methoxypropyl)acetamide
PubChem CID63848836
Molecular FormulaC16H33N3O2
Molecular Weight299.46 g/mol
Exact Mass299.26
IUPAC Name2-[3-[(tert-butylamino)methyl]piperidin-1-yl]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN1CCCC(CNC(C)(C)C)C1
InChIInChI=1S/C16H33N3O2/c1-16(2,3)18-11-14-7-5-9-19(12-14)13-15(20)17-8-6-10-21-4/h14,18H,5-13H2,1-4H3,(H,17,20)
InChIKeyDTVUSARTKACQAO-UHFFFAOYSA-N
XLogP1.24
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 63849542
2-[(3S)-3-(aminomethyl)piperidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 94209171
2-(3-aminopiperidin-1-yl)-N-(3-methoxypropyl)acetamide
CID 61295530
N-(3-methoxypropyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 78787278
2-[(3S)-3-(aminomethyl)piperidin-1-yl]-N-(2-methoxyethyl)acetamide
CID 129367244
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 115301859
methyl 1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 112730658
methyl 4-[[2-[3-(hydroxymethyl)piperidin-1-yl]acetyl]amino]butanoate
CID 60672200
2-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]-N-(3-methylbutan-2-yl)acetamide
CID 63847459
2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 115307268
2-[3-[(tert-butylamino)methyl]piperidin-1-yl]-N-ethyl-N-methylacetamide
CID 63848310
2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 79410145

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(tert-butylamino)methyl]piperidin-1-yl]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[3-[(tert-butylamino)methyl]piperidin-1-yl]-N-(3-methoxypropyl)acetamide (CID 63848836) is 2-[3-[(tert-butylamino)methyl]piperidin-1-yl]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[3-[(tert-butylamino)methyl]piperidin-1-yl]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[3-[(tert-butylamino)methyl]piperidin-1-yl]-N-(3-methoxypropyl)acetamide is COCCCNC(=O)CN1CCCC(CNC(C)(C)C)C1.
What is the InChIKey of 2-[3-[(tert-butylamino)methyl]piperidin-1-yl]-N-(3-methoxypropyl)acetamide?
The InChIKey is DTVUSARTKACQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O2/c1-16(2,3)18-11-14-7-5-9-19(12-14)13-15(20)17-8-6-10-21-4/h14,18H,5-13H2,1-4H3,(H,17,20).
What are the key properties of 2-[3-[(tert-butylamino)methyl]piperidin-1-yl]-N-(3-methoxypropyl)acetamide?
2-[3-[(tert-butylamino)methyl]piperidin-1-yl]-N-(3-methoxypropyl)acetamide has a molecular weight of 299.46 g/mol, XLogP of 1.24, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(tert-butylamino)methyl]piperidin-1-yl]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 63848836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).