4-hydroxy-1-[1-(2-methylpropanoyl)piperidin-4-yl]-5-oxo-N-(4-phenylcyclohexyl)-2H-pyrrole-3-carboxamide

C26H35N3O4 — CID 90330521

IUPAC4-hydroxy-1-[1-(2-methylpropanoyl)piperidin-4-yl]-5-oxo-N-(4-phenylcyclohexyl)-2H-pyrrole-3-carboxamide
SMILESCC(C)C(=O)N1CCC(N2CC(C(=O)NC3CCC(c4ccccc4)CC3)=C(O)C2=O)CC1
InChIInChI=1S/C26H35N3O4/c1-17(2)25(32)28-14-12-21(13-15-28)29-16-22(23(30)26(29)33)24(31)27-20-10-8-19(9-11-20)18-6-4-3-5-7-18/h3-7,17,19-21,30H,8-16H2,1-2H3,(H,27,31)
InChIKeyXMGPDKHCKIKECI-UHFFFAOYSA-N
MW453.58 g/mol
LogP3.13
Rot. Bonds5

About 4-hydroxy-1-[1-(2-methylpropanoyl)piperidin-4-yl]-5-oxo-N-(4-phenylcyclohexyl)-2H-pyrrole-3-carboxamide

4-hydroxy-1-[1-(2-methylpropanoyl)piperidin-4-yl]-5-oxo-N-(4-phenylcyclohexyl)-2H-pyrrole-3-carboxamide (PubChem CID 90330521) has the molecular formula C26H35N3O4 and a molecular weight of 453.58 g/mol. Its IUPAC name is 4-hydroxy-1-[1-(2-methylpropanoyl)piperidin-4-yl]-5-oxo-N-(4-phenylcyclohexyl)-2H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-1-[1-(2-methylpropanoyl)piperidin-4-yl]-5-oxo-N-(4-phenylcyclohexyl)-2H-pyrrole-3-carboxamide
PubChem CID90330521
Molecular FormulaC26H35N3O4
Molecular Weight453.58 g/mol
Exact Mass453.26
IUPAC Name4-hydroxy-1-[1-(2-methylpropanoyl)piperidin-4-yl]-5-oxo-N-(4-phenylcyclohexyl)-2H-pyrrole-3-carboxamide
SMILESCC(C)C(=O)N1CCC(N2CC(C(=O)NC3CCC(c4ccccc4)CC3)=C(O)C2=O)CC1
InChIInChI=1S/C26H35N3O4/c1-17(2)25(32)28-14-12-21(13-15-28)29-16-22(23(30)26(29)33)24(31)27-20-10-8-19(9-11-20)18-6-4-3-5-7-18/h3-7,17,19-21,30H,8-16H2,1-2H3,(H,27,31)
InChIKeyXMGPDKHCKIKECI-UHFFFAOYSA-N
XLogP3.13
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.58
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-hydroxy-1-[1-(2-methylpropanoyl)piperidin-4-yl]-5-oxo-N-(4-phenylcyclohexyl)-2H-pyrrole-3-carboxamide with MolForge

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Related Compounds

ethyl 4-[4-hydroxy-5-oxo-3-[(4-phenylcyclohexyl)carbamoyl]-2H-pyrrol-1-yl]piperidine-1-carboxylate
CID 90332286
1-[(2R)-2-carbamoylcyclopentyl]-4-hydroxy-5-oxo-N-(4-phenylcyclohexyl)-2H-pyrrole-3-carboxamide
CID 122436742
2-hydroxy-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 108551446
2-amino-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 61213391
1-(1-benzyl-2H-pyridin-4-yl)-4-hydroxy-5-oxo-N-(4-phenylcyclohexyl)-2H-pyrrole-3-carboxamide
CID 122678366
2-methyl-1-(3-phenylazepan-1-yl)propan-1-one
CID 90608399
2-benzyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 32542896
2-methoxy-1-(3-phenylpyrrolidin-1-yl)propan-1-one
CID 112687859
methyl 4-[1-(2-methylpropanoyl)piperidin-4-yl]benzoate
CID 170758157
2-methyl-N-[2-[(4-phenylcyclohexyl)amino]ethyl]propanamide
CID 28650865
4-chloro-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 32542302
4-bromo-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 32542222

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[1-(2-methylpropanoyl)piperidin-4-yl]-5-oxo-N-(4-phenylcyclohexyl)-2H-pyrrole-3-carboxamide?
The IUPAC name of 4-hydroxy-1-[1-(2-methylpropanoyl)piperidin-4-yl]-5-oxo-N-(4-phenylcyclohexyl)-2H-pyrrole-3-carboxamide (CID 90330521) is 4-hydroxy-1-[1-(2-methylpropanoyl)piperidin-4-yl]-5-oxo-N-(4-phenylcyclohexyl)-2H-pyrrole-3-carboxamide.
What is the SMILES notation for 4-hydroxy-1-[1-(2-methylpropanoyl)piperidin-4-yl]-5-oxo-N-(4-phenylcyclohexyl)-2H-pyrrole-3-carboxamide?
The canonical SMILES for 4-hydroxy-1-[1-(2-methylpropanoyl)piperidin-4-yl]-5-oxo-N-(4-phenylcyclohexyl)-2H-pyrrole-3-carboxamide is CC(C)C(=O)N1CCC(N2CC(C(=O)NC3CCC(c4ccccc4)CC3)=C(O)C2=O)CC1.
What is the InChIKey of 4-hydroxy-1-[1-(2-methylpropanoyl)piperidin-4-yl]-5-oxo-N-(4-phenylcyclohexyl)-2H-pyrrole-3-carboxamide?
The InChIKey is XMGPDKHCKIKECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O4/c1-17(2)25(32)28-14-12-21(13-15-28)29-16-22(23(30)26(29)33)24(31)27-20-10-8-19(9-11-20)18-6-4-3-5-7-18/h3-7,17,19-21,30H,8-16H2,1-2H3,(H,27,31).
What are the key properties of 4-hydroxy-1-[1-(2-methylpropanoyl)piperidin-4-yl]-5-oxo-N-(4-phenylcyclohexyl)-2H-pyrrole-3-carboxamide?
4-hydroxy-1-[1-(2-methylpropanoyl)piperidin-4-yl]-5-oxo-N-(4-phenylcyclohexyl)-2H-pyrrole-3-carboxamide has a molecular weight of 453.58 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[1-(2-methylpropanoyl)piperidin-4-yl]-5-oxo-N-(4-phenylcyclohexyl)-2H-pyrrole-3-carboxamide is sourced from PubChem (CID 90330521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).