1-[1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]piperidine-3-carboxylic acid

C16H20N2O4S — CID 119167862

IUPAC1-[1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)C2CCCN2C(=O)c2cccs2)C1
InChIInChI=1S/C16H20N2O4S/c19-14(17-7-1-4-11(10-17)16(21)22)12-5-2-8-18(12)15(20)13-6-3-9-23-13/h3,6,9,11-12H,1-2,4-5,7-8,10H2,(H,21,22)
InChIKeyUEWJFAODNJUZDE-UHFFFAOYSA-N
MW336.41 g/mol
LogP1.68
Rot. Bonds3

About 1-[1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]piperidine-3-carboxylic acid

1-[1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]piperidine-3-carboxylic acid (PubChem CID 119167862) has the molecular formula C16H20N2O4S and a molecular weight of 336.41 g/mol. Its IUPAC name is 1-[1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]piperidine-3-carboxylic acid
PubChem CID119167862
Molecular FormulaC16H20N2O4S
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC Name1-[1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)C2CCCN2C(=O)c2cccs2)C1
InChIInChI=1S/C16H20N2O4S/c19-14(17-7-1-4-11(10-17)16(21)22)12-5-2-8-18(12)15(20)13-6-3-9-23-13/h3,6,9,11-12H,1-2,4-5,7-8,10H2,(H,21,22)
InChIKeyUEWJFAODNJUZDE-UHFFFAOYSA-N
XLogP1.68
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(thiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 858666
(4-phenylpiperazin-1-yl)-[1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone
CID 51148177
[3-(1-aminoethyl)piperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-2-yl]methanone;hydrochloride
CID 119593326
N-(5-chloro-2-pyridinyl)-1-[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]piperidine-3-carboxamide
CID 55940452
[3-(1-aminoethyl)piperidin-1-yl]-[1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone;hydrochloride
CID 119596429
1-piperidin-1-yl-2-[4-[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]propan-1-one
CID 86890935
(3-methylpiperazin-1-yl)-[1-(thiophene-2-carbonyl)piperidin-2-yl]methanone
CID 119576927
1,4-diazepan-1-yl-[1-(thiophene-2-carbonyl)piperidin-2-yl]methanone
CID 119414809
3-methyl-1-[1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]pyrrolidine-3-carboxylic acid
CID 119257459
1-morpholin-4-yl-2-[4-[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]ethane-1,2-dione
CID 55936595
1-[1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]piperidine-3-carboxylic acid
CID 43355899
(3R)-1-[1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]piperidine-3-carboxylic acid
CID 81126746

Frequently Asked Questions

What is the IUPAC name of 1-[1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]piperidine-3-carboxylic acid (CID 119167862) is 1-[1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(C(=O)C2CCCN2C(=O)c2cccs2)C1.
What is the InChIKey of 1-[1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]piperidine-3-carboxylic acid?
The InChIKey is UEWJFAODNJUZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S/c19-14(17-7-1-4-11(10-17)16(21)22)12-5-2-8-18(12)15(20)13-6-3-9-23-13/h3,6,9,11-12H,1-2,4-5,7-8,10H2,(H,21,22).
What are the key properties of 1-[1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]piperidine-3-carboxylic acid?
1-[1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]piperidine-3-carboxylic acid has a molecular weight of 336.41 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 119167862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).