(3R)-1-(2-cyclopentylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid

C16H26N2O3 — CID 81120757

IUPAC(3R)-1-(2-cyclopentylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(C(=O)N2CCCC2C2CCCC2)C1
InChIInChI=1S/C16H26N2O3/c19-15(20)13-7-3-9-17(11-13)16(21)18-10-4-8-14(18)12-5-1-2-6-12/h12-14H,1-11H2,(H,19,20)/t13-,14?/m1/s1
InChIKeyBULBKEAGDRGCPQ-KWCCSABGSA-N
MW294.39 g/mol
LogP2.56
Rot. Bonds2

About (3R)-1-(2-cyclopentylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid

(3R)-1-(2-cyclopentylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid (PubChem CID 81120757) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is (3R)-1-(2-cyclopentylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(2-cyclopentylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid
PubChem CID81120757
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name(3R)-1-(2-cyclopentylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(C(=O)N2CCCC2C2CCCC2)C1
InChIInChI=1S/C16H26N2O3/c19-15(20)13-7-3-9-17(11-13)16(21)18-10-4-8-14(18)12-5-1-2-6-12/h12-14H,1-11H2,(H,19,20)/t13-,14?/m1/s1
InChIKeyBULBKEAGDRGCPQ-KWCCSABGSA-N
XLogP2.56
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylpiperidine-1-carbonyl)piperidine-3-carboxylic acid
CID 43135680
(3R)-1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl)piperidine-3-carboxylic acid
CID 81126775
(3S)-1-(2-methylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81126014
(3S)-1-[2-(hydroxymethyl)piperidine-1-carbonyl]piperidine-3-carboxylic acid
CID 81125270
1-[2-(hydroxymethyl)piperidine-1-carbonyl]piperidine-3-carboxylic acid
CID 61407742
(3R)-1-(5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine-1-carbonyl)piperidine-3-carboxylic acid
CID 103197380
(3R)-1-(2-ethylpiperidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81120297
(3S)-1-[2-(2-hydroxyethyl)piperidine-1-carbonyl]piperidine-3-carboxylic acid
CID 81126149
cyclobutyl-(2-cyclopentylpyrrolidin-1-yl)methanone
CID 110871989
(3S)-1-(2-propylpiperidine-1-carbonyl)piperidine-3-carboxylic acid
CID 83055984
1-acetylpiperidine-3-carboxylic acid
CID 14043896
[3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)cyclohexyl]-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone
CID 60596758

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-cyclopentylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(2-cyclopentylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid (CID 81120757) is (3R)-1-(2-cyclopentylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(2-cyclopentylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(2-cyclopentylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid is O=C(O)[C@@H]1CCCN(C(=O)N2CCCC2C2CCCC2)C1.
What is the InChIKey of (3R)-1-(2-cyclopentylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is BULBKEAGDRGCPQ-KWCCSABGSA-N. The full InChI is InChI=1S/C16H26N2O3/c19-15(20)13-7-3-9-17(11-13)16(21)18-10-4-8-14(18)12-5-1-2-6-12/h12-14H,1-11H2,(H,19,20)/t13-,14?/m1/s1.
What are the key properties of (3R)-1-(2-cyclopentylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid?
(3R)-1-(2-cyclopentylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 294.39 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-cyclopentylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 81120757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).