N,N-diethyl-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide

C13H27N3O — CID 63249005

IUPACN,N-diethyl-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide
SMILESCCN(CC)C(=O)CN1CCC(CNC)CC1
InChIInChI=1S/C13H27N3O/c1-4-16(5-2)13(17)11-15-8-6-12(7-9-15)10-14-3/h12,14H,4-11H2,1-3H3
InChIKeyJOWYFOOMNQOWAJ-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.79
Rot. Bonds6

About N,N-diethyl-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide

N,N-diethyl-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide (PubChem CID 63249005) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is N,N-diethyl-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide
PubChem CID63249005
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC NameN,N-diethyl-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide
SMILESCCN(CC)C(=O)CN1CCC(CNC)CC1
InChIInChI=1S/C13H27N3O/c1-4-16(5-2)13(17)11-15-8-6-12(7-9-15)10-14-3/h12,14H,4-11H2,1-3H3
InChIKeyJOWYFOOMNQOWAJ-UHFFFAOYSA-N
XLogP0.79
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-ethyl-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
CID 119922495
N-ethyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 63264164
2-[4,7-bis[2-(diethylamino)-2-oxoethyl]-1,4,7-triazonan-1-yl]-N,N-diethylacetamide
CID 14434735
2-[4-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63248963
N,N-diethyl-4-[4-(methylaminomethyl)piperidin-1-yl]-4-oxobutanamide;hydrochloride
CID 119546523
2-[(3S)-3-aminopyrrolidin-1-yl]-N,N-diethylacetamide
CID 115302487
N-(cyclopropylmethyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63248525
N,N-diethyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide
CID 78963518
N-cyclohexyl-N-ethyl-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide
CID 119928234
propan-2-yl 2-[4-(methylaminomethyl)piperidin-1-yl]acetate
CID 63248775
N-cyclohexyl-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
CID 119922360
2-[4-(methylaminomethyl)piperidin-1-yl]-N-(methylcarbamoyl)acetamide;hydrochloride
CID 119922349

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide (CID 63249005) is N,N-diethyl-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide is CCN(CC)C(=O)CN1CCC(CNC)CC1.
What is the InChIKey of N,N-diethyl-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide?
The InChIKey is JOWYFOOMNQOWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-4-16(5-2)13(17)11-15-8-6-12(7-9-15)10-14-3/h12,14H,4-11H2,1-3H3.
What are the key properties of N,N-diethyl-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide?
N,N-diethyl-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide has a molecular weight of 241.38 g/mol, XLogP of 0.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 63249005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).