1-carbamoyl-4-[4-(2-chlorophenyl)piperidin-1-yl]sulfonyl-3-hydroxypiperidine-3-carboxylic acid

C18H24ClN3O6S — CID 70020830

IUPAC1-carbamoyl-4-[4-(2-chlorophenyl)piperidin-1-yl]sulfonyl-3-hydroxypiperidine-3-carboxylic acid
SMILESNC(=O)N1CCC(S(=O)(=O)N2CCC(c3ccccc3Cl)CC2)C(O)(C(=O)O)C1
InChIInChI=1S/C18H24ClN3O6S/c19-14-4-2-1-3-13(14)12-5-9-22(10-6-12)29(27,28)15-7-8-21(17(20)25)11-18(15,26)16(23)24/h1-4,12,15,26H,5-11H2,(H2,20,25)(H,23,24)
InChIKeyQASUKCKXXGGMCA-UHFFFAOYSA-N
MW445.93 g/mol
LogP0.82
Rot. Bonds4

About 1-carbamoyl-4-[4-(2-chlorophenyl)piperidin-1-yl]sulfonyl-3-hydroxypiperidine-3-carboxylic acid

1-carbamoyl-4-[4-(2-chlorophenyl)piperidin-1-yl]sulfonyl-3-hydroxypiperidine-3-carboxylic acid (PubChem CID 70020830) has the molecular formula C18H24ClN3O6S and a molecular weight of 445.93 g/mol. Its IUPAC name is 1-carbamoyl-4-[4-(2-chlorophenyl)piperidin-1-yl]sulfonyl-3-hydroxypiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-carbamoyl-4-[4-(2-chlorophenyl)piperidin-1-yl]sulfonyl-3-hydroxypiperidine-3-carboxylic acid
PubChem CID70020830
Molecular FormulaC18H24ClN3O6S
Molecular Weight445.93 g/mol
Exact Mass445.11
IUPAC Name1-carbamoyl-4-[4-(2-chlorophenyl)piperidin-1-yl]sulfonyl-3-hydroxypiperidine-3-carboxylic acid
SMILESNC(=O)N1CCC(S(=O)(=O)N2CCC(c3ccccc3Cl)CC2)C(O)(C(=O)O)C1
InChIInChI=1S/C18H24ClN3O6S/c19-14-4-2-1-3-13(14)12-5-9-22(10-6-12)29(27,28)15-7-8-21(17(20)25)11-18(15,26)16(23)24/h1-4,12,15,26H,5-11H2,(H2,20,25)(H,23,24)
InChIKeyQASUKCKXXGGMCA-UHFFFAOYSA-N
XLogP0.82
TPSA141.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.93
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-carbamoyl-4-[4-(2-chlorophenyl)piperidin-1-yl]sulfonyl-3-hydroxypiperidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-carbamoyl-3-hydroxy-4-[4-(2-methylphenyl)piperidin-1-yl]sulfonylpiperidine-3-carboxylic acid
CID 70021172
1-carbamoyl-4-[4-[(2-chlorophenyl)methoxy]phenyl]sulfonyl-3-hydroxypiperidine-3-carboxylic acid
CID 70021869
1-carbamoyl-3-hydroxy-4-[4-[(4-methylphenyl)methoxy]piperidin-1-yl]sulfonylpiperidine-3-carboxylic acid
CID 70021824
(1-aminocyclopropyl)-[3-(2-chlorophenyl)pyrrolidin-1-yl]methanone
CID 118793699
1-carbamoyl-4-[4-(2-fluorophenoxy)phenyl]sulfonyl-3-hydroxypiperidine-3-carboxylic acid
CID 70019566
(1-aminocyclopropyl)-[3-(2-chlorophenyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 154905009
2-[4-(2-chlorophenyl)piperidin-1-yl]acetic acid
CID 82131899
4-(2-chlorophenyl)-1-(4-methoxyphenyl)sulfonylpiperidine
CID 171678470
[(7R)-7-(2-chlorophenyl)-1,4-thiazepan-4-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 99878500
4-(2-chlorophenyl)cyclohexane-1-carboxylic acid
CID 18597617
4-(benzenesulfonyl)-7-(2-chlorophenyl)-1,4-thiazepane
CID 90629912
1-adamantyl-[7-(2-chlorophenyl)-1,4-thiazepan-4-yl]methanone
CID 73169060

Frequently Asked Questions

What is the IUPAC name of 1-carbamoyl-4-[4-(2-chlorophenyl)piperidin-1-yl]sulfonyl-3-hydroxypiperidine-3-carboxylic acid?
The IUPAC name of 1-carbamoyl-4-[4-(2-chlorophenyl)piperidin-1-yl]sulfonyl-3-hydroxypiperidine-3-carboxylic acid (CID 70020830) is 1-carbamoyl-4-[4-(2-chlorophenyl)piperidin-1-yl]sulfonyl-3-hydroxypiperidine-3-carboxylic acid.
What is the SMILES notation for 1-carbamoyl-4-[4-(2-chlorophenyl)piperidin-1-yl]sulfonyl-3-hydroxypiperidine-3-carboxylic acid?
The canonical SMILES for 1-carbamoyl-4-[4-(2-chlorophenyl)piperidin-1-yl]sulfonyl-3-hydroxypiperidine-3-carboxylic acid is NC(=O)N1CCC(S(=O)(=O)N2CCC(c3ccccc3Cl)CC2)C(O)(C(=O)O)C1.
What is the InChIKey of 1-carbamoyl-4-[4-(2-chlorophenyl)piperidin-1-yl]sulfonyl-3-hydroxypiperidine-3-carboxylic acid?
The InChIKey is QASUKCKXXGGMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O6S/c19-14-4-2-1-3-13(14)12-5-9-22(10-6-12)29(27,28)15-7-8-21(17(20)25)11-18(15,26)16(23)24/h1-4,12,15,26H,5-11H2,(H2,20,25)(H,23,24).
What are the key properties of 1-carbamoyl-4-[4-(2-chlorophenyl)piperidin-1-yl]sulfonyl-3-hydroxypiperidine-3-carboxylic acid?
1-carbamoyl-4-[4-(2-chlorophenyl)piperidin-1-yl]sulfonyl-3-hydroxypiperidine-3-carboxylic acid has a molecular weight of 445.93 g/mol, XLogP of 0.82, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamoyl-4-[4-(2-chlorophenyl)piperidin-1-yl]sulfonyl-3-hydroxypiperidine-3-carboxylic acid is sourced from PubChem (CID 70020830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).