N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide

C24H30N4O4S — CID 38543627

IUPACN-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide
SMILESO=C(NCc1cccnc1N1CCOCC1)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C24H30N4O4S/c29-24(26-19-22-7-4-11-25-23(22)27-14-16-32-17-15-27)21-8-12-28(13-9-21)33(30,31)18-10-20-5-2-1-3-6-20/h1-7,10-11,18,21H,8-9,12-17,19H2,(H,26,29)/b18-10+
InChIKeyZYWZIEHQFAPBJD-VCHYOVAHSA-N
MW470.60 g/mol
LogP2.25
Rot. Bonds7

About N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide

N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide (PubChem CID 38543627) has the molecular formula C24H30N4O4S and a molecular weight of 470.60 g/mol. Its IUPAC name is N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide
PubChem CID38543627
Molecular FormulaC24H30N4O4S
Molecular Weight470.60 g/mol
Exact Mass470.20
IUPAC NameN-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide
SMILESO=C(NCc1cccnc1N1CCOCC1)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C24H30N4O4S/c29-24(26-19-22-7-4-11-25-23(22)27-14-16-32-17-15-27)21-8-12-28(13-9-21)33(30,31)18-10-20-5-2-1-3-6-20/h1-7,10-11,18,21H,8-9,12-17,19H2,(H,26,29)/b18-10+
InChIKeyZYWZIEHQFAPBJD-VCHYOVAHSA-N
XLogP2.25
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.60
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide with MolForge

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Related Compounds

N-[[2-(hydroxymethyl)phenyl]methyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide
CID 135337016
N-[[2-(diethylaminomethyl)phenyl]methyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide
CID 27335639
N-[(2,3-difluorophenyl)methyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide
CID 146443143
N-[2-(benzylamino)-2-oxoethyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide
CID 39821898
1-[(E)-2-phenylethenyl]sulfonyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 27168672
N-[(4-methoxyphenyl)methyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide
CID 7959643
3-amino-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119847187
cis-(1S,2R)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 97081544
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide
CID 32970234
(E)-3-(2-chlorophenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]prop-2-enamide
CID 39248673
N-[[4-(butanoylamino)phenyl]methyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide
CID 55781450
1-[(E)-2-phenylethenyl]sulfonyl-N-pyridin-3-ylpiperidine-4-carboxamide
CID 26592122

Frequently Asked Questions

What is the IUPAC name of N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide (CID 38543627) is N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide is O=C(NCc1cccnc1N1CCOCC1)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1.
What is the InChIKey of N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide?
The InChIKey is ZYWZIEHQFAPBJD-VCHYOVAHSA-N. The full InChI is InChI=1S/C24H30N4O4S/c29-24(26-19-22-7-4-11-25-23(22)27-14-16-32-17-15-27)21-8-12-28(13-9-21)33(30,31)18-10-20-5-2-1-3-6-20/h1-7,10-11,18,21H,8-9,12-17,19H2,(H,26,29)/b18-10+.
What are the key properties of N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide?
N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide has a molecular weight of 470.60 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 38543627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).