N-(3-methoxypropyl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide

C13H27N3O2 — CID 115304935

IUPACN-(3-methoxypropyl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide
SMILESCNC1(C)CCN(CC(=O)NCCCOC)CC1
InChIInChI=1S/C13H27N3O2/c1-13(14-2)5-8-16(9-6-13)11-12(17)15-7-4-10-18-3/h14H,4-11H2,1-3H3,(H,15,17)
InChIKeyRDLTWRWXHJPBKQ-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.21
Rot. Bonds7

About N-(3-methoxypropyl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide

N-(3-methoxypropyl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide (PubChem CID 115304935) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide
PubChem CID115304935
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC NameN-(3-methoxypropyl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide
SMILESCNC1(C)CCN(CC(=O)NCCCOC)CC1
InChIInChI=1S/C13H27N3O2/c1-13(14-2)5-8-16(9-6-13)11-12(17)15-7-4-10-18-3/h14H,4-11H2,1-3H3,(H,15,17)
InChIKeyRDLTWRWXHJPBKQ-UHFFFAOYSA-N
XLogP0.21
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.21
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-[4-methyl-4-(methylamino)piperidin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide
CID 115305282
N-(3-methoxypropyl)-2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]acetamide
CID 55432329
2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 55432469
2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 79410145
2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-(2-methoxyethyl)acetamide
CID 103728551
2-[4-(ethylamino)piperidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 54956649
2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 115307268
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 115301859
2-(4-aminopiperidin-1-yl)-N-[3-(2-methoxyethoxy)propyl]acetamide
CID 79327489
N-(3-methoxypropyl)-2-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide
CID 55432331
ethyl 1-[2-(3-methoxypropylamino)-2-oxoethyl]piperidine-4-carboxylate
CID 54837907
2-(2,6-dimethylmorpholin-4-yl)-N-(3-methoxypropyl)acetamide
CID 78787184

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide?
The IUPAC name of N-(3-methoxypropyl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide (CID 115304935) is N-(3-methoxypropyl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide?
The canonical SMILES for N-(3-methoxypropyl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide is CNC1(C)CCN(CC(=O)NCCCOC)CC1.
What is the InChIKey of N-(3-methoxypropyl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide?
The InChIKey is RDLTWRWXHJPBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-13(14-2)5-8-16(9-6-13)11-12(17)15-7-4-10-18-3/h14H,4-11H2,1-3H3,(H,15,17).
What are the key properties of N-(3-methoxypropyl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide?
N-(3-methoxypropyl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide has a molecular weight of 257.38 g/mol, XLogP of 0.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide is sourced from PubChem (CID 115304935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).