2-amino-N-methyl-N-[(3S)-1-methylpiperidin-3-yl]acetamide

C9H19N3O — CID 66565804

IUPAC2-amino-N-methyl-N-[(3S)-1-methylpiperidin-3-yl]acetamide
SMILESCN1CCC[C@H](N(C)C(=O)CN)C1
InChIInChI=1S/C9H19N3O/c1-11-5-3-4-8(7-11)12(2)9(13)6-10/h8H,3-7,10H2,1-2H3/t8-/m0/s1
InChIKeyQCRANTOJYDJPSE-QMMMGPOBSA-N
MW185.27 g/mol
LogP-0.50
Rot. Bonds2

About 2-amino-N-methyl-N-[(3S)-1-methylpiperidin-3-yl]acetamide

2-amino-N-methyl-N-[(3S)-1-methylpiperidin-3-yl]acetamide (PubChem CID 66565804) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-amino-N-methyl-N-[(3S)-1-methylpiperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-amino-N-methyl-N-[(3S)-1-methylpiperidin-3-yl]acetamide
PubChem CID66565804
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name2-amino-N-methyl-N-[(3S)-1-methylpiperidin-3-yl]acetamide
SMILESCN1CCC[C@H](N(C)C(=O)CN)C1
InChIInChI=1S/C9H19N3O/c1-11-5-3-4-8(7-11)12(2)9(13)6-10/h8H,3-7,10H2,1-2H3/t8-/m0/s1
InChIKeyQCRANTOJYDJPSE-QMMMGPOBSA-N
XLogP-0.50
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]acetamide
CID 66565800
1-methyl-1-(1-methylpiperidin-3-yl)urea
CID 62546065
2-[4-(aminomethyl)cyclohexyl]-N-methyl-N-(1-methylpiperidin-3-yl)acetamide
CID 63613912
2-(azetidin-3-yl)-N-methyl-N-(1-methylpiperidin-3-yl)acetamide
CID 64610616
3-amino-N-methyl-N-(1-methylpiperidin-3-yl)cyclobutane-1-carboxamide
CID 115161473
4-amino-N,2,2-trimethyl-N-(1-methylpiperidin-3-yl)butanamide
CID 115156994
2-methyl-4-[methyl-(1-methylpiperidin-3-yl)amino]-4-oxobutanoic acid
CID 115165054
5-chloro-N-methyl-N-(1-methylpiperidin-3-yl)pentanamide
CID 62546411
2-amino-N-methyl-N-(1-methylpiperidin-3-yl)cyclopentane-1-carboxamide
CID 64824632
2-(aminomethyl)-N-methyl-N-(1-methylpiperidin-3-yl)butanamide
CID 62547118
N-methyl-N-(1-methylpiperidin-3-yl)-2-oxopropanamide
CID 115175567
2-[methyl-(1-methylpiperidin-3-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978705

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-[(3S)-1-methylpiperidin-3-yl]acetamide?
The IUPAC name of 2-amino-N-methyl-N-[(3S)-1-methylpiperidin-3-yl]acetamide (CID 66565804) is 2-amino-N-methyl-N-[(3S)-1-methylpiperidin-3-yl]acetamide.
What is the SMILES notation for 2-amino-N-methyl-N-[(3S)-1-methylpiperidin-3-yl]acetamide?
The canonical SMILES for 2-amino-N-methyl-N-[(3S)-1-methylpiperidin-3-yl]acetamide is CN1CCC[C@H](N(C)C(=O)CN)C1.
What is the InChIKey of 2-amino-N-methyl-N-[(3S)-1-methylpiperidin-3-yl]acetamide?
The InChIKey is QCRANTOJYDJPSE-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H19N3O/c1-11-5-3-4-8(7-11)12(2)9(13)6-10/h8H,3-7,10H2,1-2H3/t8-/m0/s1.
What are the key properties of 2-amino-N-methyl-N-[(3S)-1-methylpiperidin-3-yl]acetamide?
2-amino-N-methyl-N-[(3S)-1-methylpiperidin-3-yl]acetamide has a molecular weight of 185.27 g/mol, XLogP of -0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N-[(3S)-1-methylpiperidin-3-yl]acetamide is sourced from PubChem (CID 66565804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).