N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide

C23H29ClN4O4S — CID 55635533

IUPACN-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(NCC(c1ccccc1Cl)N1CCOCC1)C1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C23H29ClN4O4S/c24-21-6-2-1-5-20(21)22(27-12-14-32-15-13-27)17-26-23(29)18-7-10-28(11-8-18)33(30,31)19-4-3-9-25-16-19/h1-6,9,16,18,22H,7-8,10-15,17H2,(H,26,29)
InChIKeyPKGCXULSNCSKLB-UHFFFAOYSA-N
MW493.03 g/mol
LogP2.33
Rot. Bonds7

About N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide

N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide (PubChem CID 55635533) has the molecular formula C23H29ClN4O4S and a molecular weight of 493.03 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
PubChem CID55635533
Molecular FormulaC23H29ClN4O4S
Molecular Weight493.03 g/mol
Exact Mass492.16
IUPAC NameN-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(NCC(c1ccccc1Cl)N1CCOCC1)C1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C23H29ClN4O4S/c24-21-6-2-1-5-20(21)22(27-12-14-32-15-13-27)17-26-23(29)18-7-10-28(11-8-18)33(30,31)19-4-3-9-25-16-19/h1-6,9,16,18,22H,7-8,10-15,17H2,(H,26,29)
InChIKeyPKGCXULSNCSKLB-UHFFFAOYSA-N
XLogP2.33
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.03
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-3-[(1-pyridin-3-ylsulfonylpiperidine-4-carbonyl)amino]propanoic acid
CID 120525861
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide
CID 24658952
N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]pyridine-4-carboxamide
CID 37050347
N-(4-morpholin-4-ylphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 30885894
1-pyridin-3-ylsulfonyl-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 46602349
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 55610194
N-(3,3-diphenylpropyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 30892157
N-(cyclobutylmethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 38653049
1-(benzenesulfonyl)-N-(2-pyridin-3-ylethyl)piperidine-4-carboxamide
CID 31398646
N-[(4-chlorophenyl)-phenylmethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 43071922
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]piperidine-2-carboxamide;dihydrochloride
CID 119849605
N-[2-(dimethylamino)-2-oxoethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 30892596

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide (CID 55635533) is N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide is O=C(NCC(c1ccccc1Cl)N1CCOCC1)C1CCN(S(=O)(=O)c2cccnc2)CC1.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is PKGCXULSNCSKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN4O4S/c24-21-6-2-1-5-20(21)22(27-12-14-32-15-13-27)17-26-23(29)18-7-10-28(11-8-18)33(30,31)19-4-3-9-25-16-19/h1-6,9,16,18,22H,7-8,10-15,17H2,(H,26,29).
What are the key properties of N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 493.03 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 55635533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).