2-[(3R)-3-aminopiperidin-1-yl]-N-(3-methylbutan-2-yl)acetamide

C12H25N3O — CID 102977545

IUPAC2-[(3R)-3-aminopiperidin-1-yl]-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)CN1CCC[C@@H](N)C1
InChIInChI=1S/C12H25N3O/c1-9(2)10(3)14-12(16)8-15-6-4-5-11(13)7-15/h9-11H,4-8,13H2,1-3H3,(H,14,16)/t10?,11-/m1/s1
InChIKeyMQOAECQMQJZSPN-RRKGBCIJSA-N
MW227.35 g/mol
LogP0.57
Rot. Bonds4

About 2-[(3R)-3-aminopiperidin-1-yl]-N-(3-methylbutan-2-yl)acetamide

2-[(3R)-3-aminopiperidin-1-yl]-N-(3-methylbutan-2-yl)acetamide (PubChem CID 102977545) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-[(3R)-3-aminopiperidin-1-yl]-N-(3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[(3R)-3-aminopiperidin-1-yl]-N-(3-methylbutan-2-yl)acetamide
PubChem CID102977545
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name2-[(3R)-3-aminopiperidin-1-yl]-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)CN1CCC[C@@H](N)C1
InChIInChI=1S/C12H25N3O/c1-9(2)10(3)14-12(16)8-15-6-4-5-11(13)7-15/h9-11H,4-8,13H2,1-3H3,(H,14,16)/t10?,11-/m1/s1
InChIKeyMQOAECQMQJZSPN-RRKGBCIJSA-N
XLogP0.57
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-aminopiperidin-1-yl)-N-(3-methylbutan-2-yl)acetamide
CID 61297413
N-[(2S)-3-methylbutan-2-yl]-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]acetamide
CID 100836620
N-(3-methylbutan-2-yl)-2-[3-(propylaminomethyl)piperidin-1-yl]acetamide
CID 63847249
2-(azepan-1-yl)-N-(3-methylbutan-2-yl)acetamide
CID 86908322
2-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]-N-(3-methylbutan-2-yl)acetamide
CID 63847459
2-(3-aminopiperidin-1-yl)-N-(methylcarbamoyl)acetamide
CID 61296110
2-(3-aminoazetidin-1-yl)-N-propan-2-ylacetamide
CID 63760908
2-[(3S)-3-aminopyrrolidin-1-yl]-N-pentan-3-ylacetamide
CID 81492736
2-(3-aminopiperidin-1-yl)-N-(3-methoxypropyl)acetamide
CID 61295530
2-(3-aminopiperidin-1-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 61295961
2-[4-(methylaminomethyl)piperidin-1-yl]-N-(3-methylbutan-2-yl)acetamide
CID 63248872
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(3-methylbutan-2-yl)acetamide;hydrochloride
CID 119920920

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-aminopiperidin-1-yl]-N-(3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-[(3R)-3-aminopiperidin-1-yl]-N-(3-methylbutan-2-yl)acetamide (CID 102977545) is 2-[(3R)-3-aminopiperidin-1-yl]-N-(3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[(3R)-3-aminopiperidin-1-yl]-N-(3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-[(3R)-3-aminopiperidin-1-yl]-N-(3-methylbutan-2-yl)acetamide is CC(C)C(C)NC(=O)CN1CCC[C@@H](N)C1.
What is the InChIKey of 2-[(3R)-3-aminopiperidin-1-yl]-N-(3-methylbutan-2-yl)acetamide?
The InChIKey is MQOAECQMQJZSPN-RRKGBCIJSA-N. The full InChI is InChI=1S/C12H25N3O/c1-9(2)10(3)14-12(16)8-15-6-4-5-11(13)7-15/h9-11H,4-8,13H2,1-3H3,(H,14,16)/t10?,11-/m1/s1.
What are the key properties of 2-[(3R)-3-aminopiperidin-1-yl]-N-(3-methylbutan-2-yl)acetamide?
2-[(3R)-3-aminopiperidin-1-yl]-N-(3-methylbutan-2-yl)acetamide has a molecular weight of 227.35 g/mol, XLogP of 0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-aminopiperidin-1-yl]-N-(3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 102977545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).