2-[4-(methylaminomethyl)piperidin-1-yl]-N-(3-methylbutan-2-yl)acetamide

C14H29N3O — CID 63248872

IUPAC2-[4-(methylaminomethyl)piperidin-1-yl]-N-(3-methylbutan-2-yl)acetamide
SMILESCNCC1CCN(CC(=O)NC(C)C(C)C)CC1
InChIInChI=1S/C14H29N3O/c1-11(2)12(3)16-14(18)10-17-7-5-13(6-8-17)9-15-4/h11-13,15H,5-10H2,1-4H3,(H,16,18)
InChIKeyLBKMLNHIMGSDIX-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.08
Rot. Bonds6

About 2-[4-(methylaminomethyl)piperidin-1-yl]-N-(3-methylbutan-2-yl)acetamide

2-[4-(methylaminomethyl)piperidin-1-yl]-N-(3-methylbutan-2-yl)acetamide (PubChem CID 63248872) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 2-[4-(methylaminomethyl)piperidin-1-yl]-N-(3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(methylaminomethyl)piperidin-1-yl]-N-(3-methylbutan-2-yl)acetamide
PubChem CID63248872
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name2-[4-(methylaminomethyl)piperidin-1-yl]-N-(3-methylbutan-2-yl)acetamide
SMILESCNCC1CCN(CC(=O)NC(C)C(C)C)CC1
InChIInChI=1S/C14H29N3O/c1-11(2)12(3)16-14(18)10-17-7-5-13(6-8-17)9-15-4/h11-13,15H,5-10H2,1-4H3,(H,16,18)
InChIKeyLBKMLNHIMGSDIX-UHFFFAOYSA-N
XLogP1.08
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(methylaminomethyl)piperidin-1-yl]-N-(6-methylheptan-2-yl)acetamide
CID 63248800
N-(cyclopropylmethyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63248525
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(3-methylbutan-2-yl)acetamide;hydrochloride
CID 119920920
2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-(5-methylhexan-2-yl)acetamide
CID 55168100
2-(azepan-1-yl)-N-(3-methylbutan-2-yl)acetamide
CID 86908322
propan-2-yl 2-[4-(methylaminomethyl)piperidin-1-yl]acetate
CID 63248775
2-[4-(methylaminomethyl)piperidin-1-yl]-N-(methylcarbamoyl)acetamide;hydrochloride
CID 119922349
2-[4-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63248963
3-[1-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]piperidin-4-yl]oxypropanoic acid
CID 63902664
2-[4-(methylaminomethyl)piperidin-1-yl]-N-(4-methylcyclohexyl)acetamide
CID 63248834
N-cyclohexyl-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
CID 119922360
2-(3-aminopiperidin-1-yl)-N-(3-methylbutan-2-yl)acetamide
CID 61297413

Frequently Asked Questions

What is the IUPAC name of 2-[4-(methylaminomethyl)piperidin-1-yl]-N-(3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-[4-(methylaminomethyl)piperidin-1-yl]-N-(3-methylbutan-2-yl)acetamide (CID 63248872) is 2-[4-(methylaminomethyl)piperidin-1-yl]-N-(3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[4-(methylaminomethyl)piperidin-1-yl]-N-(3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-[4-(methylaminomethyl)piperidin-1-yl]-N-(3-methylbutan-2-yl)acetamide is CNCC1CCN(CC(=O)NC(C)C(C)C)CC1.
What is the InChIKey of 2-[4-(methylaminomethyl)piperidin-1-yl]-N-(3-methylbutan-2-yl)acetamide?
The InChIKey is LBKMLNHIMGSDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-11(2)12(3)16-14(18)10-17-7-5-13(6-8-17)9-15-4/h11-13,15H,5-10H2,1-4H3,(H,16,18).
What are the key properties of 2-[4-(methylaminomethyl)piperidin-1-yl]-N-(3-methylbutan-2-yl)acetamide?
2-[4-(methylaminomethyl)piperidin-1-yl]-N-(3-methylbutan-2-yl)acetamide has a molecular weight of 255.41 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methylaminomethyl)piperidin-1-yl]-N-(3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 63248872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).