(2S)-2-amino-N-methyl-N-piperidin-4-ylpropanamide

C9H19N3O — CID 130656898

IUPAC(2S)-2-amino-N-methyl-N-piperidin-4-ylpropanamide
SMILESC[C@H](N)C(=O)N(C)C1CCNCC1
InChIInChI=1S/C9H19N3O/c1-7(10)9(13)12(2)8-3-5-11-6-4-8/h7-8,11H,3-6,10H2,1-2H3/t7-/m0/s1
InChIKeyNLTILXHHTDDUIE-ZETCQYMHSA-N
MW185.27 g/mol
LogP-0.46
Rot. Bonds2

About (2S)-2-amino-N-methyl-N-piperidin-4-ylpropanamide

(2S)-2-amino-N-methyl-N-piperidin-4-ylpropanamide (PubChem CID 130656898) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is (2S)-2-amino-N-methyl-N-piperidin-4-ylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-methyl-N-piperidin-4-ylpropanamide
PubChem CID130656898
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name(2S)-2-amino-N-methyl-N-piperidin-4-ylpropanamide
SMILESC[C@H](N)C(=O)N(C)C1CCNCC1
InChIInChI=1S/C9H19N3O/c1-7(10)9(13)12(2)8-3-5-11-6-4-8/h7-8,11H,3-6,10H2,1-2H3/t7-/m0/s1
InChIKeyNLTILXHHTDDUIE-ZETCQYMHSA-N
XLogP-0.46
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Esaprazole
CID 68835
(3S)-4-oxo-4-piperidin-1-ylbutane-1,3-diamine
CID 9942336
N-isopropyl-1-piperazineacetamide
CID 100826
2-(S)-Amino-1-piperidin-1-yl-4-(piperidin-4-ylamino)-butan-1-one
CID 9970277
2,5-Diamino-1-piperidin-1-yl-pentan-1-one
CID 10081481
N-((S)-3-Amino-4-oxo-4-piperidin-1-yl-butyl)-acetamide
CID 10353699
(S)-4-Amino-1-piperidin-1-yl-2-(piperidin-4-ylamino)-butan-1-one
CID 10468265
(2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]propanamide
CID 10989432
2,4-Diamino-1-piperidin-1-yl-butan-1-one
CID 24906298
1-Acetyl-N-cyclopropylpiperidin-4-amine
CID 2735241
4-Acetamidopiperidine
CID 1445156
4-Tert-butylcarbonylaminopiperidine
CID 1445176

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-methyl-N-piperidin-4-ylpropanamide?
The IUPAC name of (2S)-2-amino-N-methyl-N-piperidin-4-ylpropanamide (CID 130656898) is (2S)-2-amino-N-methyl-N-piperidin-4-ylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-methyl-N-piperidin-4-ylpropanamide?
The canonical SMILES for (2S)-2-amino-N-methyl-N-piperidin-4-ylpropanamide is C[C@H](N)C(=O)N(C)C1CCNCC1.
What is the InChIKey of (2S)-2-amino-N-methyl-N-piperidin-4-ylpropanamide?
The InChIKey is NLTILXHHTDDUIE-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H19N3O/c1-7(10)9(13)12(2)8-3-5-11-6-4-8/h7-8,11H,3-6,10H2,1-2H3/t7-/m0/s1.
What are the key properties of (2S)-2-amino-N-methyl-N-piperidin-4-ylpropanamide?
(2S)-2-amino-N-methyl-N-piperidin-4-ylpropanamide has a molecular weight of 185.27 g/mol, XLogP of -0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-methyl-N-piperidin-4-ylpropanamide is sourced from PubChem (CID 130656898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).