N-(3-methylbutyl)-2-[methyl(piperidin-3-yl)amino]acetamide

C13H27N3O — CID 55248733

IUPACN-(3-methylbutyl)-2-[methyl(piperidin-3-yl)amino]acetamide
SMILESCC(C)CCNC(=O)CN(C)C1CCCNC1
InChIInChI=1S/C13H27N3O/c1-11(2)6-8-15-13(17)10-16(3)12-5-4-7-14-9-12/h11-12,14H,4-10H2,1-3H3,(H,15,17)
InChIKeyKLVRVAIWIWXQMF-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.83
Rot. Bonds6

About N-(3-methylbutyl)-2-[methyl(piperidin-3-yl)amino]acetamide

N-(3-methylbutyl)-2-[methyl(piperidin-3-yl)amino]acetamide (PubChem CID 55248733) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-[methyl(piperidin-3-yl)amino]acetamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-[methyl(piperidin-3-yl)amino]acetamide
PubChem CID55248733
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC NameN-(3-methylbutyl)-2-[methyl(piperidin-3-yl)amino]acetamide
SMILESCC(C)CCNC(=O)CN(C)C1CCCNC1
InChIInChI=1S/C13H27N3O/c1-11(2)6-8-15-13(17)10-16(3)12-5-4-7-14-9-12/h11-12,14H,4-10H2,1-3H3,(H,15,17)
InChIKeyKLVRVAIWIWXQMF-UHFFFAOYSA-N
XLogP0.83
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylbutylcarbamoyl)-2-[methyl(piperidin-3-yl)amino]acetamide
CID 63644254
N-(2-acetamidoethyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide
CID 63301776
N-cyclohexyl-2-[methyl(piperidin-3-yl)amino]acetamide
CID 63644075
N-methyl-N-(2-methylpropyl)piperidin-3-amine
CID 43317078
N-[2-(3-chlorophenyl)ethyl]-2-[methyl(piperidin-3-yl)amino]acetamide
CID 63641962
2-[[4-(ethylamino)cyclohexyl]-methylamino]-N-(3-methylbutyl)acetamide
CID 79123116
N-(4-methylcyclohexyl)-2-[methyl(piperidin-3-yl)amino]acetamide
CID 55249118
N-butyl-2-[ethyl(piperidin-3-yl)amino]acetamide
CID 55245115
N-cyclopropyl-N-ethyl-2-[methyl(piperidin-3-yl)amino]acetamide
CID 55249128
2-[methyl(piperidin-4-yl)amino]-N-(2-methylpropyl)acetamide;hydrochloride
CID 119913617
N-(3-chloro-4-methylphenyl)-2-[methyl(piperidin-3-yl)amino]acetamide
CID 63642155
2-[azepan-4-yl(methyl)amino]-N-(3-methylbutan-2-yl)acetamide
CID 104979554

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-[methyl(piperidin-3-yl)amino]acetamide?
The IUPAC name of N-(3-methylbutyl)-2-[methyl(piperidin-3-yl)amino]acetamide (CID 55248733) is N-(3-methylbutyl)-2-[methyl(piperidin-3-yl)amino]acetamide.
What is the SMILES notation for N-(3-methylbutyl)-2-[methyl(piperidin-3-yl)amino]acetamide?
The canonical SMILES for N-(3-methylbutyl)-2-[methyl(piperidin-3-yl)amino]acetamide is CC(C)CCNC(=O)CN(C)C1CCCNC1.
What is the InChIKey of N-(3-methylbutyl)-2-[methyl(piperidin-3-yl)amino]acetamide?
The InChIKey is KLVRVAIWIWXQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-11(2)6-8-15-13(17)10-16(3)12-5-4-7-14-9-12/h11-12,14H,4-10H2,1-3H3,(H,15,17).
What are the key properties of N-(3-methylbutyl)-2-[methyl(piperidin-3-yl)amino]acetamide?
N-(3-methylbutyl)-2-[methyl(piperidin-3-yl)amino]acetamide has a molecular weight of 241.38 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-[methyl(piperidin-3-yl)amino]acetamide is sourced from PubChem (CID 55248733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).