(3R)-1-(3-propylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid

C14H24N2O3 — CID 113418347

IUPAC(3R)-1-(3-propylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid
SMILESCCCC1CCN(C(=O)N2CCC[C@@H](C(=O)O)C2)C1
InChIInChI=1S/C14H24N2O3/c1-2-4-11-6-8-16(9-11)14(19)15-7-3-5-12(10-15)13(17)18/h11-12H,2-10H2,1H3,(H,17,18)/t11?,12-/m1/s1
InChIKeyPPLZJSWIUQSMJE-PIJUOVFKSA-N
MW268.36 g/mol
LogP2.03
Rot. Bonds3

About (3R)-1-(3-propylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid

(3R)-1-(3-propylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid (PubChem CID 113418347) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is (3R)-1-(3-propylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(3-propylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid
PubChem CID113418347
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name(3R)-1-(3-propylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid
SMILESCCCC1CCN(C(=O)N2CCC[C@@H](C(=O)O)C2)C1
InChIInChI=1S/C14H24N2O3/c1-2-4-11-6-8-16(9-11)14(19)15-7-3-5-12(10-15)13(17)18/h11-12H,2-10H2,1H3,(H,17,18)/t11?,12-/m1/s1
InChIKeyPPLZJSWIUQSMJE-PIJUOVFKSA-N
XLogP2.03
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

azepan-1-yl-(3-propylpyrrolidin-1-yl)methanone
CID 116657830
1-(4-propylpiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid
CID 55151760
(3-methylpiperidin-1-yl)-(3-propylpyrrolidin-1-yl)methanone
CID 116657829
(3S)-1-[3-(2-hydroxyethyl)piperidine-1-carbonyl]piperidine-3-carboxylic acid
CID 107228221
1-[3-(aminomethyl)pyrrolidine-1-carbonyl]piperidine-3-carboxylic acid
CID 62064175
(3S)-1-(2-propylpiperidine-1-carbonyl)piperidine-3-carboxylic acid
CID 83055984
(3S)-1-(4-aminopiperidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81125729
1-(4-methylazepane-1-carbonyl)piperidine-3-carboxylic acid
CID 63627410
(3R)-1-(4-methoxycarbonylpiperidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81127706
(3S)-1-(3,4-dimethylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81123191
1-[4-(dimethylamino)piperidine-1-carbonyl]piperidine-3-carboxylic acid
CID 43586350
(3S)-1-(4-ethyl-3-methylpiperazine-1-carbonyl)piperidine-3-carboxylic acid
CID 81125816

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-propylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(3-propylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid (CID 113418347) is (3R)-1-(3-propylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(3-propylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(3-propylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid is CCCC1CCN(C(=O)N2CCC[C@@H](C(=O)O)C2)C1.
What is the InChIKey of (3R)-1-(3-propylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is PPLZJSWIUQSMJE-PIJUOVFKSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-2-4-11-6-8-16(9-11)14(19)15-7-3-5-12(10-15)13(17)18/h11-12H,2-10H2,1H3,(H,17,18)/t11?,12-/m1/s1.
What are the key properties of (3R)-1-(3-propylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid?
(3R)-1-(3-propylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3-propylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 113418347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).