N-(2-bicyclo[2.2.1]heptanyl)-1-[(2-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide

C20H27ClN2O3S — CID 53283589

IUPACN-(2-bicyclo[2.2.1]heptanyl)-1-[(2-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide
SMILESO=C(NC1CC2CCC1C2)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1
InChIInChI=1S/C20H27ClN2O3S/c21-18-4-2-1-3-17(18)13-27(25,26)23-9-7-15(8-10-23)20(24)22-19-12-14-5-6-16(19)11-14/h1-4,14-16,19H,5-13H2,(H,22,24)
InChIKeyWITQZSQDGPOCFB-UHFFFAOYSA-N
MW410.97 g/mol
LogP3.19
Rot. Bonds5

About N-(2-bicyclo[2.2.1]heptanyl)-1-[(2-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide

N-(2-bicyclo[2.2.1]heptanyl)-1-[(2-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide (PubChem CID 53283589) has the molecular formula C20H27ClN2O3S and a molecular weight of 410.97 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-1-[(2-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-1-[(2-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide
PubChem CID53283589
Molecular FormulaC20H27ClN2O3S
Molecular Weight410.97 g/mol
Exact Mass410.14
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-1-[(2-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide
SMILESO=C(NC1CC2CCC1C2)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1
InChIInChI=1S/C20H27ClN2O3S/c21-18-4-2-1-3-17(18)13-27(25,26)23-9-7-15(8-10-23)20(24)22-19-12-14-5-6-16(19)11-14/h1-4,14-16,19H,5-13H2,(H,22,24)
InChIKeyWITQZSQDGPOCFB-UHFFFAOYSA-N
XLogP3.19
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.97
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-[(2-chlorophenyl)methylsulfonyl]piperidine-3-carboxamide
CID 98699611
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-[(4-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide
CID 92642579
1-(benzenesulfonyl)-N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]piperidine-4-carboxamide
CID 100644384
1-(benzenesulfonyl)-N-(2-bicyclo[2.2.1]heptanyl)piperidine-4-carboxamide
CID 131956185
N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-ethylsulfonylpiperidine-4-carboxamide
CID 95118913
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2-chlorophenyl)acetamide
CID 100631226
[1-[(2-chlorophenyl)methylsulfonyl]piperidin-4-yl]-phenylmethanone
CID 110394038
1-[(2-chlorophenyl)methylsulfonyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 92802369
1-[(2-chlorophenyl)methylsulfonyl]-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 28637020
N-(4-carbamoylphenyl)-1-[(2-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide
CID 46265573
1-[(2-chlorophenyl)methylsulfonyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 100506796
methyl N-[1-[(2-chlorophenyl)methylsulfonyl]piperidin-4-yl]carbamate
CID 110823326

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-1-[(2-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-1-[(2-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide (CID 53283589) is N-(2-bicyclo[2.2.1]heptanyl)-1-[(2-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-1-[(2-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-1-[(2-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide is O=C(NC1CC2CCC1C2)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-1-[(2-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide?
The InChIKey is WITQZSQDGPOCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN2O3S/c21-18-4-2-1-3-17(18)13-27(25,26)23-9-7-15(8-10-23)20(24)22-19-12-14-5-6-16(19)11-14/h1-4,14-16,19H,5-13H2,(H,22,24).
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-1-[(2-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide?
N-(2-bicyclo[2.2.1]heptanyl)-1-[(2-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide has a molecular weight of 410.97 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-1-[(2-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide is sourced from PubChem (CID 53283589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).