1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperidine-3-carboxylic acid

C17H27N3O4 — CID 119136251

IUPAC1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)C2CCCN(C(=O)N3CCCC3)C2)C1
InChIInChI=1S/C17H27N3O4/c21-15(19-9-4-6-14(12-19)16(22)23)13-5-3-10-20(11-13)17(24)18-7-1-2-8-18/h13-14H,1-12H2,(H,22,23)
InChIKeyXAJJTNVIDILKTG-UHFFFAOYSA-N
MW337.42 g/mol
LogP1.24
Rot. Bonds2

About 1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperidine-3-carboxylic acid

1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperidine-3-carboxylic acid (PubChem CID 119136251) has the molecular formula C17H27N3O4 and a molecular weight of 337.42 g/mol. Its IUPAC name is 1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperidine-3-carboxylic acid
PubChem CID119136251
Molecular FormulaC17H27N3O4
Molecular Weight337.42 g/mol
Exact Mass337.20
IUPAC Name1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)C2CCCN(C(=O)N3CCCC3)C2)C1
InChIInChI=1S/C17H27N3O4/c21-15(19-9-4-6-14(12-19)16(22)23)13-5-3-10-20(11-13)17(24)18-7-1-2-8-18/h13-14H,1-12H2,(H,22,23)
InChIKeyXAJJTNVIDILKTG-UHFFFAOYSA-N
XLogP1.24
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(4-aminopiperidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81125729
(3R)-1-(3,4-dihydroxypyrrolidine-1-carbonyl)piperidine-3-carboxylic acid
CID 106670650
1-(4-methylazepane-1-carbonyl)piperidine-3-carboxylic acid
CID 63627410
(3R)-1-(4-methoxycarbonylpiperidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81127706
1-(cyclopent-3-ene-1-carbonyl)piperidine-3-carboxylic acid
CID 64767255
(3S)-1-(3,4-dimethylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81123191
(3R)-1-(8-azaspiro[4.5]decane-8-carbonyl)piperidine-3-carboxylic acid
CID 81121128
1-[4-(dimethylamino)piperidine-1-carbonyl]piperidine-3-carboxylic acid
CID 43586350
(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
(3S)-1-[(3R)-1-propan-2-ylpiperidine-3-carbonyl]piperidine-3-carboxylic acid
CID 118103357
1-(4-methylsulfanylpiperazine-1-carbonyl)piperidine-3-carboxylic acid
CID 123306117

Frequently Asked Questions

What is the IUPAC name of 1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperidine-3-carboxylic acid (CID 119136251) is 1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(C(=O)C2CCCN(C(=O)N3CCCC3)C2)C1.
What is the InChIKey of 1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperidine-3-carboxylic acid?
The InChIKey is XAJJTNVIDILKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4/c21-15(19-9-4-6-14(12-19)16(22)23)13-5-3-10-20(11-13)17(24)18-7-1-2-8-18/h13-14H,1-12H2,(H,22,23).
What are the key properties of 1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperidine-3-carboxylic acid?
1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperidine-3-carboxylic acid has a molecular weight of 337.42 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 119136251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).