2-amino-2-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]propanamide

C13H27N3O — CID 61265469

IUPAC2-amino-2-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]propanamide
SMILESCC1CCN(CCCNC(=O)C(C)(C)N)CC1
InChIInChI=1S/C13H27N3O/c1-11-5-9-16(10-6-11)8-4-7-15-12(17)13(2,3)14/h11H,4-10,14H2,1-3H3,(H,15,17)
InChIKeyGMONQIUVJSHTSJ-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.96
Rot. Bonds5

About 2-amino-2-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]propanamide

2-amino-2-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]propanamide (PubChem CID 61265469) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-amino-2-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]propanamide.

Molecular Properties

Compound Name2-amino-2-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]propanamide
PubChem CID61265469
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name2-amino-2-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]propanamide
SMILESCC1CCN(CCCNC(=O)C(C)(C)N)CC1
InChIInChI=1S/C13H27N3O/c1-11-5-9-16(10-6-11)8-4-7-15-12(17)13(2,3)14/h11H,4-10,14H2,1-3H3,(H,15,17)
InChIKeyGMONQIUVJSHTSJ-UHFFFAOYSA-N
XLogP0.96
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]propanamide
CID 61266440
2-amino-2-ethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]butanamide
CID 79815246
N-[3-(4-methylpiperidin-1-yl)propyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604980
2-amino-2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]pentanamide
CID 61241654
2-bromo-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide
CID 63679463
1-amino-N-[4-(4-methylpiperidin-1-yl)butyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119852388
(2R)-2-amino-N-[3-(4-methylpiperidin-1-yl)propyl]butanamide
CID 79023285
tert-butyl N-[3-(4-methylazepan-1-yl)propyl]carbamate
CID 143014602
2-amino-2-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]propanamide;dihydrochloride
CID 119834613
2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-piperazin-1-ylpropanamide
CID 80548101
3-amino-2-methyl-N-[4-(4-methylpiperidin-1-yl)butyl]butanamide
CID 120503040
2,2-dimethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]propanamide
CID 94119599

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]propanamide?
The IUPAC name of 2-amino-2-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]propanamide (CID 61265469) is 2-amino-2-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]propanamide.
What is the SMILES notation for 2-amino-2-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]propanamide?
The canonical SMILES for 2-amino-2-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]propanamide is CC1CCN(CCCNC(=O)C(C)(C)N)CC1.
What is the InChIKey of 2-amino-2-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]propanamide?
The InChIKey is GMONQIUVJSHTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-11-5-9-16(10-6-11)8-4-7-15-12(17)13(2,3)14/h11H,4-10,14H2,1-3H3,(H,15,17).
What are the key properties of 2-amino-2-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]propanamide?
2-amino-2-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]propanamide has a molecular weight of 241.38 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]propanamide is sourced from PubChem (CID 61265469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).