N-[[1-[2-(aminomethyl)-2-methylbutanoyl]piperidin-4-yl]methyl]acetamide

C14H27N3O2 — CID 102736157

IUPACN-[[1-[2-(aminomethyl)-2-methylbutanoyl]piperidin-4-yl]methyl]acetamide
SMILESCCC(C)(CN)C(=O)N1CCC(CNC(C)=O)CC1
InChIInChI=1S/C14H27N3O2/c1-4-14(3,10-15)13(19)17-7-5-12(6-8-17)9-16-11(2)18/h12H,4-10,15H2,1-3H3,(H,16,18)
InChIKeyRZVXCNKIFRICIO-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.74
Rot. Bonds5

About N-[[1-[2-(aminomethyl)-2-methylbutanoyl]piperidin-4-yl]methyl]acetamide

N-[[1-[2-(aminomethyl)-2-methylbutanoyl]piperidin-4-yl]methyl]acetamide (PubChem CID 102736157) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[[1-[2-(aminomethyl)-2-methylbutanoyl]piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-[2-(aminomethyl)-2-methylbutanoyl]piperidin-4-yl]methyl]acetamide
PubChem CID102736157
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC NameN-[[1-[2-(aminomethyl)-2-methylbutanoyl]piperidin-4-yl]methyl]acetamide
SMILESCCC(C)(CN)C(=O)N1CCC(CNC(C)=O)CC1
InChIInChI=1S/C14H27N3O2/c1-4-14(3,10-15)13(19)17-7-5-12(6-8-17)9-16-11(2)18/h12H,4-10,15H2,1-3H3,(H,16,18)
InChIKeyRZVXCNKIFRICIO-UHFFFAOYSA-N
XLogP0.74
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-1-(4-ethylazepan-1-yl)-2-methylbutan-1-one
CID 114290751
2-(aminomethyl)-1-(3-methoxypyrrolidin-1-yl)-2-methylbutan-1-one
CID 103531981
N-[[1-(N'-methylcarbamimidoyl)piperidin-4-yl]methyl]acetamide
CID 102736501
N-[[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]methyl]acetamide
CID 66567593
N-[(1-ethylpiperidin-4-yl)methyl]acetamide
CID 60968762
2-(aminomethyl)-1-(3-hydroxy-4-methylpiperidin-1-yl)-2-methylbutan-1-one
CID 102956889
N-[[1-(4-methylpiperidine-1-carbonyl)piperidin-4-yl]methyl]acetamide
CID 102736162
3-[4-(acetamidomethyl)piperidin-1-yl]-3-oxopropanoic acid
CID 102736982
N-[[1-(2-aminoethyl)piperidin-4-yl]methyl]acetamide
CID 66567390
N-[[1-(2-ethyl-2-hydroxybutyl)piperidin-4-yl]methyl]acetamide
CID 103931700
N-[[4-(aminomethyl)cyclohexyl]methyl]acetamide
CID 45119594
2-(aminomethyl)-1-(4-ethyl-4-methylpiperidin-1-yl)-2-methylbutan-1-one
CID 114290679

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(aminomethyl)-2-methylbutanoyl]piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-[2-(aminomethyl)-2-methylbutanoyl]piperidin-4-yl]methyl]acetamide (CID 102736157) is N-[[1-[2-(aminomethyl)-2-methylbutanoyl]piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-[2-(aminomethyl)-2-methylbutanoyl]piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-[2-(aminomethyl)-2-methylbutanoyl]piperidin-4-yl]methyl]acetamide is CCC(C)(CN)C(=O)N1CCC(CNC(C)=O)CC1.
What is the InChIKey of N-[[1-[2-(aminomethyl)-2-methylbutanoyl]piperidin-4-yl]methyl]acetamide?
The InChIKey is RZVXCNKIFRICIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-4-14(3,10-15)13(19)17-7-5-12(6-8-17)9-16-11(2)18/h12H,4-10,15H2,1-3H3,(H,16,18).
What are the key properties of N-[[1-[2-(aminomethyl)-2-methylbutanoyl]piperidin-4-yl]methyl]acetamide?
N-[[1-[2-(aminomethyl)-2-methylbutanoyl]piperidin-4-yl]methyl]acetamide has a molecular weight of 269.39 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(aminomethyl)-2-methylbutanoyl]piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 102736157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).