1-[2-(4-piperidin-1-ylsulfonylphenyl)acetyl]piperidine-2-carboxylic acid

C19H26N2O5S — CID 119175715

IUPAC1-[2-(4-piperidin-1-ylsulfonylphenyl)acetyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C19H26N2O5S/c22-18(21-13-5-2-6-17(21)19(23)24)14-15-7-9-16(10-8-15)27(25,26)20-11-3-1-4-12-20/h7-10,17H,1-6,11-14H2,(H,23,24)
InChIKeyUNSUYXSJARBMFH-UHFFFAOYSA-N
MW394.49 g/mol
LogP1.87
Rot. Bonds5

About 1-[2-(4-piperidin-1-ylsulfonylphenyl)acetyl]piperidine-2-carboxylic acid

1-[2-(4-piperidin-1-ylsulfonylphenyl)acetyl]piperidine-2-carboxylic acid (PubChem CID 119175715) has the molecular formula C19H26N2O5S and a molecular weight of 394.49 g/mol. Its IUPAC name is 1-[2-(4-piperidin-1-ylsulfonylphenyl)acetyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-piperidin-1-ylsulfonylphenyl)acetyl]piperidine-2-carboxylic acid
PubChem CID119175715
Molecular FormulaC19H26N2O5S
Molecular Weight394.49 g/mol
Exact Mass394.16
IUPAC Name1-[2-(4-piperidin-1-ylsulfonylphenyl)acetyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C19H26N2O5S/c22-18(21-13-5-2-6-17(21)19(23)24)14-15-7-9-16(10-8-15)27(25,26)20-11-3-1-4-12-20/h7-10,17H,1-6,11-14H2,(H,23,24)
InChIKeyUNSUYXSJARBMFH-UHFFFAOYSA-N
XLogP1.87
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.49
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-hydroxyphenyl)acetyl]azepane-2-carboxylic acid
CID 64558978
1-[2-(4-fluorophenyl)acetyl]pyrrolidine-2-carboxylic acid
CID 16796004
2-(4-piperidin-1-ylsulfonylphenyl)-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
CID 55469023
1-[2-[4-(difluoromethoxy)phenyl]acetyl]piperidine-2-carboxylic acid
CID 119176054
(2R)-1-[2-(4-acetylphenyl)acetyl]pyrrolidine-2-carboxylic acid
CID 119372064
(2R)-1-[2-[4-(dimethylamino)phenyl]acetyl]pyrrolidine-2-carboxylic acid
CID 57426175
(2R)-1-[2-[4-(trifluoromethyl)phenyl]acetyl]pyrrolidine-2-carboxylic acid
CID 78920281
1-[2-(2,6-dichlorophenyl)acetyl]piperidine-2-carboxylic acid
CID 43239840
1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 43239484
1-[3-(methylamino)piperidin-1-yl]-2-(4-piperidin-1-ylsulfonylphenyl)ethanone;hydrochloride
CID 119489160
1-[3-(4-piperidin-1-ylsulfonylphenyl)propanoyl]pyrrolidine-3-carboxylic acid
CID 119355369
1-[2-(3-methoxyphenyl)acetyl]azepane-2-carboxylic acid
CID 64559530

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-piperidin-1-ylsulfonylphenyl)acetyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[2-(4-piperidin-1-ylsulfonylphenyl)acetyl]piperidine-2-carboxylic acid (CID 119175715) is 1-[2-(4-piperidin-1-ylsulfonylphenyl)acetyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(4-piperidin-1-ylsulfonylphenyl)acetyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(4-piperidin-1-ylsulfonylphenyl)acetyl]piperidine-2-carboxylic acid is O=C(O)C1CCCCN1C(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of 1-[2-(4-piperidin-1-ylsulfonylphenyl)acetyl]piperidine-2-carboxylic acid?
The InChIKey is UNSUYXSJARBMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5S/c22-18(21-13-5-2-6-17(21)19(23)24)14-15-7-9-16(10-8-15)27(25,26)20-11-3-1-4-12-20/h7-10,17H,1-6,11-14H2,(H,23,24).
What are the key properties of 1-[2-(4-piperidin-1-ylsulfonylphenyl)acetyl]piperidine-2-carboxylic acid?
1-[2-(4-piperidin-1-ylsulfonylphenyl)acetyl]piperidine-2-carboxylic acid has a molecular weight of 394.49 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-piperidin-1-ylsulfonylphenyl)acetyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 119175715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).