N-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidine-4-carboxamide

C17H25N3O4S — CID 119271576

IUPACN-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCNCC1
InChIInChI=1S/C17H25N3O4S/c21-17(15-5-7-18-8-6-15)19-13-14-1-3-16(4-2-14)25(22,23)20-9-11-24-12-10-20/h1-4,15,18H,5-13H2,(H,19,21)
InChIKeyGGHHHZDZJVNLLL-UHFFFAOYSA-N
MW367.47 g/mol
LogP0.32
Rot. Bonds5

About N-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidine-4-carboxamide

N-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 119271576) has the molecular formula C17H25N3O4S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidine-4-carboxamide
PubChem CID119271576
Molecular FormulaC17H25N3O4S
Molecular Weight367.47 g/mol
Exact Mass367.16
IUPAC NameN-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCNCC1
InChIInChI=1S/C17H25N3O4S/c21-17(15-5-7-18-8-6-15)19-13-14-1-3-16(4-2-14)25(22,23)20-9-11-24-12-10-20/h1-4,15,18H,5-13H2,(H,19,21)
InChIKeyGGHHHZDZJVNLLL-UHFFFAOYSA-N
XLogP0.32
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-morpholin-4-ylsulfonylphenyl)methyl]cyclopropanecarboxamide
CID 17436529
4-tert-butyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]cyclohexane-1-carboxamide
CID 9391433
(3S)-1-(4-bromophenyl)sulfonyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 94861826
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide
CID 55856282
(3S)-1-(4-methoxyphenyl)sulfonyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 94861829
(3R)-1-(4-methoxyphenyl)sulfonyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 94861830
1-(4-acetylphenyl)sulfonyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 27890193
1-(benzenesulfonyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyrrolidine-2-carboxamide
CID 43058785
3-(4-morpholin-4-ylsulfonylphenyl)-N-piperidin-4-ylpropanamide
CID 119390011
N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 119275548
1-(benzenesulfonyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide
CID 28561875
(3S)-1-(4-methoxy-3-methylphenyl)sulfonyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 94861835

Frequently Asked Questions

What is the IUPAC name of N-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidine-4-carboxamide (CID 119271576) is N-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidine-4-carboxamide is O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCNCC1.
What is the InChIKey of N-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is GGHHHZDZJVNLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4S/c21-17(15-5-7-18-8-6-15)19-13-14-1-3-16(4-2-14)25(22,23)20-9-11-24-12-10-20/h1-4,15,18H,5-13H2,(H,19,21).
What are the key properties of N-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidine-4-carboxamide?
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 367.47 g/mol, XLogP of 0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 119271576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).