4-[(1-cyclopropylsulfonylpiperidin-4-yl)carbamoyl]cyclohexane-1-carboxylic acid

C16H26N2O5S — CID 120674300

IUPAC4-[(1-cyclopropylsulfonylpiperidin-4-yl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)CC1
InChIInChI=1S/C16H26N2O5S/c19-15(11-1-3-12(4-2-11)16(20)21)17-13-7-9-18(10-8-13)24(22,23)14-5-6-14/h11-14H,1-10H2,(H,17,19)(H,20,21)
InChIKeyJAQLFJRUWLKSHK-UHFFFAOYSA-N
MW358.46 g/mol
LogP0.95
Rot. Bonds5

About 4-[(1-cyclopropylsulfonylpiperidin-4-yl)carbamoyl]cyclohexane-1-carboxylic acid

4-[(1-cyclopropylsulfonylpiperidin-4-yl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 120674300) has the molecular formula C16H26N2O5S and a molecular weight of 358.46 g/mol. Its IUPAC name is 4-[(1-cyclopropylsulfonylpiperidin-4-yl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(1-cyclopropylsulfonylpiperidin-4-yl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID120674300
Molecular FormulaC16H26N2O5S
Molecular Weight358.46 g/mol
Exact Mass358.16
IUPAC Name4-[(1-cyclopropylsulfonylpiperidin-4-yl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)CC1
InChIInChI=1S/C16H26N2O5S/c19-15(11-1-3-12(4-2-11)16(20)21)17-13-7-9-18(10-8-13)24(22,23)14-5-6-14/h11-14H,1-10H2,(H,17,19)(H,20,21)
InChIKeyJAQLFJRUWLKSHK-UHFFFAOYSA-N
XLogP0.95
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(cyclobutylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784542
2-[4-(cyclopropanecarbonylamino)piperidin-1-yl]sulfonylpropanoic acid
CID 61458277
4-[(1-acetylpiperidine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 60807892
4-amino-N-(1-ethylsulfonylpiperidin-4-yl)cyclohexane-1-carboxamide
CID 61275448
N-(1-butylsulfonylpiperidin-4-yl)cyclopropanecarboxamide
CID 110823079
N-(1-cyclopropylsulfonylpiperidin-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119341222
N-cycloheptyl-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
CID 3563261
4-chloro-1-cyclopropylsulfonylpiperidine
CID 64552242
N-cycloheptyl-1-methylsulfonylpiperidine-4-carboxamide
CID 774769
3-(cyclopropylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103549764
N-(1-formylpiperidin-4-yl)cyclopropanecarboxamide
CID 64992853
cis-(1R,3S)-3-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120679065

Frequently Asked Questions

What is the IUPAC name of 4-[(1-cyclopropylsulfonylpiperidin-4-yl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(1-cyclopropylsulfonylpiperidin-4-yl)carbamoyl]cyclohexane-1-carboxylic acid (CID 120674300) is 4-[(1-cyclopropylsulfonylpiperidin-4-yl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(1-cyclopropylsulfonylpiperidin-4-yl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(1-cyclopropylsulfonylpiperidin-4-yl)carbamoyl]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(C(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)CC1.
What is the InChIKey of 4-[(1-cyclopropylsulfonylpiperidin-4-yl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is JAQLFJRUWLKSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O5S/c19-15(11-1-3-12(4-2-11)16(20)21)17-13-7-9-18(10-8-13)24(22,23)14-5-6-14/h11-14H,1-10H2,(H,17,19)(H,20,21).
What are the key properties of 4-[(1-cyclopropylsulfonylpiperidin-4-yl)carbamoyl]cyclohexane-1-carboxylic acid?
4-[(1-cyclopropylsulfonylpiperidin-4-yl)carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 358.46 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-cyclopropylsulfonylpiperidin-4-yl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120674300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).