N-[(3R,4S)-1-acetyl-3-methylpiperidin-4-yl]acetamide

C10H18N2O2 — CID 162424010

IUPACN-[(3R,4S)-1-acetyl-3-methylpiperidin-4-yl]acetamide
SMILESCC(=O)N[C@H]1CCN(C(C)=O)C[C@H]1C
InChIInChI=1S/C10H18N2O2/c1-7-6-12(9(3)14)5-4-10(7)11-8(2)13/h7,10H,4-6H2,1-3H3,(H,11,13)/t7-,10+/m1/s1
InChIKeyULHKKFNXGPTMHG-XCBNKYQSSA-N
MW198.27 g/mol
LogP0.38
Rot. Bonds1

About N-[(3R,4S)-1-acetyl-3-methylpiperidin-4-yl]acetamide

N-[(3R,4S)-1-acetyl-3-methylpiperidin-4-yl]acetamide (PubChem CID 162424010) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is N-[(3R,4S)-1-acetyl-3-methylpiperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[(3R,4S)-1-acetyl-3-methylpiperidin-4-yl]acetamide
PubChem CID162424010
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC NameN-[(3R,4S)-1-acetyl-3-methylpiperidin-4-yl]acetamide
SMILESCC(=O)N[C@H]1CCN(C(C)=O)C[C@H]1C
InChIInChI=1S/C10H18N2O2/c1-7-6-12(9(3)14)5-4-10(7)11-8(2)13/h7,10H,4-6H2,1-3H3,(H,11,13)/t7-,10+/m1/s1
InChIKeyULHKKFNXGPTMHG-XCBNKYQSSA-N
XLogP0.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-acetylpyrrolidin-3-yl)acetamide
CID 21285269
1-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]ethanone
CID 129394019
N-(1-acetylpiperidin-4-yl)acetamide
CID 23402928
1-(4,5-dimethylazepan-1-yl)ethanone
CID 139460502
1-(4-amino-3-methylpiperidin-1-yl)ethanone;hydrochloride
CID 71757060
methyl 1-acetyl-3-methylpiperidine-4-carboxylate
CID 175131976
(3S,4R)-3-methyl-4-(methylamino)piperidine-1-carboxylic acid
CID 66707575
ethene;1-(3-methylpyrrolidin-1-yl)ethanone
CID 177026606
1-(2,7-dimethyl-1,4-oxazepan-4-yl)ethanone
CID 146290513
1-(3-bromo-4-methylpiperidin-1-yl)ethanone
CID 102962242
3-methyl-4-(methylamino)piperidine-1-carboxamide
CID 114498750
N,3-dimethyl-4-(methylamino)piperidine-1-carboxamide
CID 114498742

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-1-acetyl-3-methylpiperidin-4-yl]acetamide?
The IUPAC name of N-[(3R,4S)-1-acetyl-3-methylpiperidin-4-yl]acetamide (CID 162424010) is N-[(3R,4S)-1-acetyl-3-methylpiperidin-4-yl]acetamide.
What is the SMILES notation for N-[(3R,4S)-1-acetyl-3-methylpiperidin-4-yl]acetamide?
The canonical SMILES for N-[(3R,4S)-1-acetyl-3-methylpiperidin-4-yl]acetamide is CC(=O)N[C@H]1CCN(C(C)=O)C[C@H]1C.
What is the InChIKey of N-[(3R,4S)-1-acetyl-3-methylpiperidin-4-yl]acetamide?
The InChIKey is ULHKKFNXGPTMHG-XCBNKYQSSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-7-6-12(9(3)14)5-4-10(7)11-8(2)13/h7,10H,4-6H2,1-3H3,(H,11,13)/t7-,10+/m1/s1.
What are the key properties of N-[(3R,4S)-1-acetyl-3-methylpiperidin-4-yl]acetamide?
N-[(3R,4S)-1-acetyl-3-methylpiperidin-4-yl]acetamide has a molecular weight of 198.27 g/mol, XLogP of 0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-1-acetyl-3-methylpiperidin-4-yl]acetamide is sourced from PubChem (CID 162424010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).