(3S)-1-acetylpiperidine-3-carboxylate

C8H12NO3- — CID 7131083

IUPAC(3S)-1-acetylpiperidine-3-carboxylate
SMILESCC(=O)N1CCC[C@H](C(=O)[O-])C1
InChIInChI=1S/C8H13NO3/c1-6(10)9-4-2-3-7(5-9)8(11)12/h7H,2-5H2,1H3,(H,11,12)/p-1/t7-/m0/s1
InChIKeyODPIDTOGVIDBLN-ZETCQYMHSA-M
MW170.19 g/mol
LogP-1.01
Rot. Bonds1

About (3S)-1-acetylpiperidine-3-carboxylate

(3S)-1-acetylpiperidine-3-carboxylate (PubChem CID 7131083) has the molecular formula C8H12NO3- and a molecular weight of 170.19 g/mol. Its IUPAC name is (3S)-1-acetylpiperidine-3-carboxylate.

Molecular Properties

Compound Name(3S)-1-acetylpiperidine-3-carboxylate
PubChem CID7131083
Molecular FormulaC8H12NO3-
Molecular Weight170.19 g/mol
Exact Mass170.08
IUPAC Name(3S)-1-acetylpiperidine-3-carboxylate
SMILESCC(=O)N1CCC[C@H](C(=O)[O-])C1
InChIInChI=1S/C8H13NO3/c1-6(10)9-4-2-3-7(5-9)8(11)12/h7H,2-5H2,1H3,(H,11,12)/p-1/t7-/m0/s1
InChIKeyODPIDTOGVIDBLN-ZETCQYMHSA-M
XLogP-1.01
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.19
LogP ≤ 5-1.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-acetylpiperidine-3-carboxylic acid
CID 14043896
1-[4-(1-acetylpiperidine-3-carbonyl)piperazin-1-yl]ethanone
CID 110686076
1-acetylpiperidine-3-carboxylic acid;ethane
CID 143204854
ethane;1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 176561282
1-(3-cyclopentylpiperidin-1-yl)ethanone
CID 91592675
ethane;1-(3-methylpiperidin-1-yl)ethanone
CID 91356589
(2S)-1-(1-acetylpiperidine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 61137336
1-(1-acetylpiperidine-4-carbonyl)piperidine-3-carboxylic acid
CID 43170987
1-(1-acetylpiperidine-3-carbonyl)piperidine-2-carboxylic acid
CID 43171073
1-[3-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
CID 61409138
1-[3-(3-methylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
CID 119577018
4-(1-acetylpiperidine-3-carbonyl)piperazine-2,6-dione
CID 66083193

Frequently Asked Questions

What is the IUPAC name of (3S)-1-acetylpiperidine-3-carboxylate?
The IUPAC name of (3S)-1-acetylpiperidine-3-carboxylate (CID 7131083) is (3S)-1-acetylpiperidine-3-carboxylate.
What is the SMILES notation for (3S)-1-acetylpiperidine-3-carboxylate?
The canonical SMILES for (3S)-1-acetylpiperidine-3-carboxylate is CC(=O)N1CCC[C@H](C(=O)[O-])C1.
What is the InChIKey of (3S)-1-acetylpiperidine-3-carboxylate?
The InChIKey is ODPIDTOGVIDBLN-ZETCQYMHSA-M. The full InChI is InChI=1S/C8H13NO3/c1-6(10)9-4-2-3-7(5-9)8(11)12/h7H,2-5H2,1H3,(H,11,12)/p-1/t7-/m0/s1.
What are the key properties of (3S)-1-acetylpiperidine-3-carboxylate?
(3S)-1-acetylpiperidine-3-carboxylate has a molecular weight of 170.19 g/mol, XLogP of -1.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-acetylpiperidine-3-carboxylate is sourced from PubChem (CID 7131083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).