(3R,4R)-1-acetyl-3-cyclopentylpiperidine-4-carboxylic acid

C13H21NO3 — CID 178194767

IUPAC(3R,4R)-1-acetyl-3-cyclopentylpiperidine-4-carboxylic acid
SMILESCC(=O)N1CC[C@@H](C(=O)O)[C@@H](C2CCCC2)C1
InChIInChI=1S/C13H21NO3/c1-9(15)14-7-6-11(13(16)17)12(8-14)10-4-2-3-5-10/h10-12H,2-8H2,1H3,(H,16,17)/t11-,12-/m1/s1
InChIKeyZVCLFDQUUUXNBS-VXGBXAGGSA-N
MW239.31 g/mol
LogP1.75
Rot. Bonds2

About (3R,4R)-1-acetyl-3-cyclopentylpiperidine-4-carboxylic acid

(3R,4R)-1-acetyl-3-cyclopentylpiperidine-4-carboxylic acid (PubChem CID 178194767) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is (3R,4R)-1-acetyl-3-cyclopentylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name(3R,4R)-1-acetyl-3-cyclopentylpiperidine-4-carboxylic acid
PubChem CID178194767
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name(3R,4R)-1-acetyl-3-cyclopentylpiperidine-4-carboxylic acid
SMILESCC(=O)N1CC[C@@H](C(=O)O)[C@@H](C2CCCC2)C1
InChIInChI=1S/C13H21NO3/c1-9(15)14-7-6-11(13(16)17)12(8-14)10-4-2-3-5-10/h10-12H,2-8H2,1H3,(H,16,17)/t11-,12-/m1/s1
InChIKeyZVCLFDQUUUXNBS-VXGBXAGGSA-N
XLogP1.75
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]ethanone
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(3S,4S)-4-cyclopropyl-1-(3-methylbut-2-enoyl)pyrrolidine-3-carboxylic acid
CID 72837574
1-(3-cyclopentylpiperidin-1-yl)ethanone
CID 91592675
2-(4-acetylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 16786759
2-cyclopentyl-4-methylcyclohexane-1-carboxylic acid
CID 81021365
(3R,4R)-4-cyclohexyl-1-[ethyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 138052053
ethene;1-(3-methylpyrrolidin-1-yl)ethanone
CID 177026606
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylic acid;manganese
CID 70185276
1-acetylpiperidine-3-carboxylic acid
CID 14043896
ethane;1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 176561282
ethane;1-(3-methylpiperidin-1-yl)ethanone
CID 91356589
1-(4,5-dimethylazepan-1-yl)ethanone
CID 139460502

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-acetyl-3-cyclopentylpiperidine-4-carboxylic acid?
The IUPAC name of (3R,4R)-1-acetyl-3-cyclopentylpiperidine-4-carboxylic acid (CID 178194767) is (3R,4R)-1-acetyl-3-cyclopentylpiperidine-4-carboxylic acid.
What is the SMILES notation for (3R,4R)-1-acetyl-3-cyclopentylpiperidine-4-carboxylic acid?
The canonical SMILES for (3R,4R)-1-acetyl-3-cyclopentylpiperidine-4-carboxylic acid is CC(=O)N1CC[C@@H](C(=O)O)[C@@H](C2CCCC2)C1.
What is the InChIKey of (3R,4R)-1-acetyl-3-cyclopentylpiperidine-4-carboxylic acid?
The InChIKey is ZVCLFDQUUUXNBS-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H21NO3/c1-9(15)14-7-6-11(13(16)17)12(8-14)10-4-2-3-5-10/h10-12H,2-8H2,1H3,(H,16,17)/t11-,12-/m1/s1.
What are the key properties of (3R,4R)-1-acetyl-3-cyclopentylpiperidine-4-carboxylic acid?
(3R,4R)-1-acetyl-3-cyclopentylpiperidine-4-carboxylic acid has a molecular weight of 239.31 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-acetyl-3-cyclopentylpiperidine-4-carboxylic acid is sourced from PubChem (CID 178194767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).