(3S)-1-[(3R)-1-propan-2-ylpiperidine-3-carbonyl]piperidine-3-carboxylic acid

C15H26N2O3 — CID 118103357

IUPAC(3S)-1-[(3R)-1-propan-2-ylpiperidine-3-carbonyl]piperidine-3-carboxylic acid
SMILESCC(C)N1CCC[C@@H](C(=O)N2CCC[C@H](C(=O)O)C2)C1
InChIInChI=1S/C15H26N2O3/c1-11(2)16-7-3-5-12(9-16)14(18)17-8-4-6-13(10-17)15(19)20/h11-13H,3-10H2,1-2H3,(H,19,20)/t12-,13+/m1/s1
InChIKeyUPXUCKGWJLRSOD-OLZOCXBDSA-N
MW282.38 g/mol
LogP1.43
Rot. Bonds3

About (3S)-1-[(3R)-1-propan-2-ylpiperidine-3-carbonyl]piperidine-3-carboxylic acid

(3S)-1-[(3R)-1-propan-2-ylpiperidine-3-carbonyl]piperidine-3-carboxylic acid (PubChem CID 118103357) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is (3S)-1-[(3R)-1-propan-2-ylpiperidine-3-carbonyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-[(3R)-1-propan-2-ylpiperidine-3-carbonyl]piperidine-3-carboxylic acid
PubChem CID118103357
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name(3S)-1-[(3R)-1-propan-2-ylpiperidine-3-carbonyl]piperidine-3-carboxylic acid
SMILESCC(C)N1CCC[C@@H](C(=O)N2CCC[C@H](C(=O)O)C2)C1
InChIInChI=1S/C15H26N2O3/c1-11(2)16-7-3-5-12(9-16)14(18)17-8-4-6-13(10-17)15(19)20/h11-13H,3-10H2,1-2H3,(H,19,20)/t12-,13+/m1/s1
InChIKeyUPXUCKGWJLRSOD-OLZOCXBDSA-N
XLogP1.43
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-propan-2-ylazepane-3-carboxylic acid
CID 83618658
1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperidine-3-carboxylic acid
CID 119136251
(3S)-1-[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]piperidine-3-carboxylic acid
CID 119137245
1-(1-acetylpiperidine-4-carbonyl)piperidine-3-carboxylic acid
CID 43170987
1-acetylpyrrolidine-3-carboxylic acid;1-propan-2-ylpyrrolidine
CID 169177339
1-(1-methylsulfonylpiperidine-3-carbonyl)piperidine-3-carboxylic acid
CID 43355832
(3S)-1-(1-methylsulfonylpiperidine-3-carbonyl)piperidine-3-carboxylic acid
CID 81120769
1-[(2R)-2-hydroxypropanoyl]piperidine-3-carboxylic acid
CID 130649320
1-(cyclopent-3-ene-1-carbonyl)piperidine-3-carboxylic acid
CID 64767255
azetidin-1-yl-[(4R)-1-propan-2-ylazepan-4-yl]methanone
CID 121368635
(3R)-1-propan-2-ylpiperidine-3-carboxamide
CID 58431105
1-[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]-6-methylpiperidine-3-carboxylic acid
CID 122083640

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(3R)-1-propan-2-ylpiperidine-3-carbonyl]piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-[(3R)-1-propan-2-ylpiperidine-3-carbonyl]piperidine-3-carboxylic acid (CID 118103357) is (3S)-1-[(3R)-1-propan-2-ylpiperidine-3-carbonyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-[(3R)-1-propan-2-ylpiperidine-3-carbonyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-[(3R)-1-propan-2-ylpiperidine-3-carbonyl]piperidine-3-carboxylic acid is CC(C)N1CCC[C@@H](C(=O)N2CCC[C@H](C(=O)O)C2)C1.
What is the InChIKey of (3S)-1-[(3R)-1-propan-2-ylpiperidine-3-carbonyl]piperidine-3-carboxylic acid?
The InChIKey is UPXUCKGWJLRSOD-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-11(2)16-7-3-5-12(9-16)14(18)17-8-4-6-13(10-17)15(19)20/h11-13H,3-10H2,1-2H3,(H,19,20)/t12-,13+/m1/s1.
What are the key properties of (3S)-1-[(3R)-1-propan-2-ylpiperidine-3-carbonyl]piperidine-3-carboxylic acid?
(3S)-1-[(3R)-1-propan-2-ylpiperidine-3-carbonyl]piperidine-3-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(3R)-1-propan-2-ylpiperidine-3-carbonyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 118103357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).