N-[(3S)-1-(2-aminoacetyl)piperidin-3-yl]-N-propan-2-ylacetamide

C12H23N3O2 — CID 66567560

IUPACN-[(3S)-1-(2-aminoacetyl)piperidin-3-yl]-N-propan-2-ylacetamide
SMILESCC(=O)N(C(C)C)[C@H]1CCCN(C(=O)CN)C1
InChIInChI=1S/C12H23N3O2/c1-9(2)15(10(3)16)11-5-4-6-14(8-11)12(17)7-13/h9,11H,4-8,13H2,1-3H3/t11-/m0/s1
InChIKeyYYQZPUKTLIRTNY-NSHDSACASA-N
MW241.33 g/mol
LogP0.19
Rot. Bonds3

About N-[(3S)-1-(2-aminoacetyl)piperidin-3-yl]-N-propan-2-ylacetamide

N-[(3S)-1-(2-aminoacetyl)piperidin-3-yl]-N-propan-2-ylacetamide (PubChem CID 66567560) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-[(3S)-1-(2-aminoacetyl)piperidin-3-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-[(3S)-1-(2-aminoacetyl)piperidin-3-yl]-N-propan-2-ylacetamide
PubChem CID66567560
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC NameN-[(3S)-1-(2-aminoacetyl)piperidin-3-yl]-N-propan-2-ylacetamide
SMILESCC(=O)N(C(C)C)[C@H]1CCCN(C(=O)CN)C1
InChIInChI=1S/C12H23N3O2/c1-9(2)15(10(3)16)11-5-4-6-14(8-11)12(17)7-13/h9,11H,4-8,13H2,1-3H3/t11-/m0/s1
InChIKeyYYQZPUKTLIRTNY-NSHDSACASA-N
XLogP0.19
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R)-1-(2-chloroacetyl)piperidin-3-yl]-N-propan-2-ylacetamide
CID 66567488
N-[(3R)-1-(2-aminoacetyl)pyrrolidin-3-yl]-N-methylacetamide
CID 66567524
N-[[(3S)-1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-cyclopropylacetamide
CID 96554554
2-amino-1-[(3R)-3-[benzyl(propan-2-yl)amino]piperidin-1-yl]ethanone
CID 66567137
2-amino-1-[3-[butyl(ethyl)amino]piperidin-1-yl]ethanone
CID 84755574
1-[3-(dimethylamino)piperidin-1-yl]-2-hydroxyethanone
CID 131155211
2-amino-1-(3-propan-2-yloxypiperidin-1-yl)ethanone
CID 84755438
2-amino-1-[(3R)-3-[benzyl(methyl)amino]piperidin-1-yl]ethanone
CID 66567107
N-[[(3S)-1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-ethylacetamide
CID 96554531
tert-butyl N-[1-(2-aminoacetyl)piperidin-3-yl]-N-ethylcarbamate
CID 66566208
2-amino-1-[(3R)-3-[[cyclopropyl(methyl)amino]methyl]piperidin-1-yl]ethanone
CID 96555302
2-amino-1-(3-sulfanylpiperidin-1-yl)ethanone
CID 84755275

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(2-aminoacetyl)piperidin-3-yl]-N-propan-2-ylacetamide?
The IUPAC name of N-[(3S)-1-(2-aminoacetyl)piperidin-3-yl]-N-propan-2-ylacetamide (CID 66567560) is N-[(3S)-1-(2-aminoacetyl)piperidin-3-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for N-[(3S)-1-(2-aminoacetyl)piperidin-3-yl]-N-propan-2-ylacetamide?
The canonical SMILES for N-[(3S)-1-(2-aminoacetyl)piperidin-3-yl]-N-propan-2-ylacetamide is CC(=O)N(C(C)C)[C@H]1CCCN(C(=O)CN)C1.
What is the InChIKey of N-[(3S)-1-(2-aminoacetyl)piperidin-3-yl]-N-propan-2-ylacetamide?
The InChIKey is YYQZPUKTLIRTNY-NSHDSACASA-N. The full InChI is InChI=1S/C12H23N3O2/c1-9(2)15(10(3)16)11-5-4-6-14(8-11)12(17)7-13/h9,11H,4-8,13H2,1-3H3/t11-/m0/s1.
What are the key properties of N-[(3S)-1-(2-aminoacetyl)piperidin-3-yl]-N-propan-2-ylacetamide?
N-[(3S)-1-(2-aminoacetyl)piperidin-3-yl]-N-propan-2-ylacetamide has a molecular weight of 241.33 g/mol, XLogP of 0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(2-aminoacetyl)piperidin-3-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 66567560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).