5-[1-(4-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide

C20H25N5O5S — CID 91628864

IUPAC5-[1-(4-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide
SMILESNC(=O)c1cc(C2CCN(C(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)[nH]n1
InChIInChI=1S/C20H25N5O5S/c21-19(26)18-13-17(22-23-18)14-5-7-24(8-6-14)20(27)15-1-3-16(4-2-15)31(28,29)25-9-11-30-12-10-25/h1-4,13-14H,5-12H2,(H2,21,26)(H,22,23)
InChIKeySGDBVPDTLZFSAM-UHFFFAOYSA-N
MW447.52 g/mol
LogP0.55
Rot. Bonds5

About 5-[1-(4-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide

5-[1-(4-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide (PubChem CID 91628864) has the molecular formula C20H25N5O5S and a molecular weight of 447.52 g/mol. Its IUPAC name is 5-[1-(4-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[1-(4-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide
PubChem CID91628864
Molecular FormulaC20H25N5O5S
Molecular Weight447.52 g/mol
Exact Mass447.16
IUPAC Name5-[1-(4-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide
SMILESNC(=O)c1cc(C2CCN(C(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)[nH]n1
InChIInChI=1S/C20H25N5O5S/c21-19(26)18-13-17(22-23-18)14-5-7-24(8-6-14)20(27)15-1-3-16(4-2-15)31(28,29)25-9-11-30-12-10-25/h1-4,13-14H,5-12H2,(H2,21,26)(H,22,23)
InChIKeySGDBVPDTLZFSAM-UHFFFAOYSA-N
XLogP0.55
TPSA138.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.52
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(4-morpholin-4-ylsulfonylphenyl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 90539918
[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 90506482
[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 8803149
(4-benzylpiperidin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 26590971
5-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide
CID 91628866
(4-fluorophenyl)-[(3R)-3-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 95840496
[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 90495021
morpholin-4-yl-(5-piperidin-4-yl-1H-pyrazol-3-yl)methanone
CID 119106388
[4-[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-phenylmethanone
CID 1453664
[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-morpholin-4-ylmethanone
CID 40791712
[4-(1,4-diazepan-1-ylsulfonyl)phenyl]-morpholin-4-ylmethanone;hydrochloride
CID 119963161
[4-(1-adamantyl)piperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 5141037

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-[1-(4-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide (CID 91628864) is 5-[1-(4-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-[1-(4-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-[1-(4-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide is NC(=O)c1cc(C2CCN(C(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)[nH]n1.
What is the InChIKey of 5-[1-(4-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide?
The InChIKey is SGDBVPDTLZFSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O5S/c21-19(26)18-13-17(22-23-18)14-5-7-24(8-6-14)20(27)15-1-3-16(4-2-15)31(28,29)25-9-11-30-12-10-25/h1-4,13-14H,5-12H2,(H2,21,26)(H,22,23).
What are the key properties of 5-[1-(4-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide?
5-[1-(4-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide has a molecular weight of 447.52 g/mol, XLogP of 0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 91628864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).