2,4-dihydroxy-N-(2-phenylethyl)-1-(4-piperidin-1-ylphenyl)pyrrole-3-carboxamide

C24H27N3O3 — CID 91074763

IUPAC2,4-dihydroxy-N-(2-phenylethyl)-1-(4-piperidin-1-ylphenyl)pyrrole-3-carboxamide
SMILESO=C(NCCc1ccccc1)c1c(O)cn(-c2ccc(N3CCCCC3)cc2)c1O
InChIInChI=1S/C24H27N3O3/c28-21-17-27(20-11-9-19(10-12-20)26-15-5-2-6-16-26)24(30)22(21)23(29)25-14-13-18-7-3-1-4-8-18/h1,3-4,7-12,17,28,30H,2,5-6,13-16H2,(H,25,29)
InChIKeyIBKGKHXCKATOSC-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.85
Rot. Bonds6

About 2,4-dihydroxy-N-(2-phenylethyl)-1-(4-piperidin-1-ylphenyl)pyrrole-3-carboxamide

2,4-dihydroxy-N-(2-phenylethyl)-1-(4-piperidin-1-ylphenyl)pyrrole-3-carboxamide (PubChem CID 91074763) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is 2,4-dihydroxy-N-(2-phenylethyl)-1-(4-piperidin-1-ylphenyl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name2,4-dihydroxy-N-(2-phenylethyl)-1-(4-piperidin-1-ylphenyl)pyrrole-3-carboxamide
PubChem CID91074763
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name2,4-dihydroxy-N-(2-phenylethyl)-1-(4-piperidin-1-ylphenyl)pyrrole-3-carboxamide
SMILESO=C(NCCc1ccccc1)c1c(O)cn(-c2ccc(N3CCCCC3)cc2)c1O
InChIInChI=1S/C24H27N3O3/c28-21-17-27(20-11-9-19(10-12-20)26-15-5-2-6-16-26)24(30)22(21)23(29)25-14-13-18-7-3-1-4-8-18/h1,3-4,7-12,17,28,30H,2,5-6,13-16H2,(H,25,29)
InChIKeyIBKGKHXCKATOSC-UHFFFAOYSA-N
XLogP3.85
TPSA77.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(2-phenylethyl)-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
CID 113108912
N-[3-(4-piperidin-1-ylphenyl)propyl]benzamide
CID 16890191
N-[3-[4-(azepan-1-yl)phenyl]propyl]benzamide
CID 16889785
N-[2-[4-(azepan-1-yl)phenyl]ethyl]-4-methylbenzamide
CID 16889356
N-[2-(4-piperidin-1-ylphenyl)ethyl]pyridine-4-carboxamide
CID 110404973
2-(4-chlorophenyl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]acetamide
CID 16890076
4-chloro-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]benzamide
CID 16889466
2-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]ethanamine
CID 55378279
N-(2-phenylethyl)-2-(4-pyrrolidin-1-ylanilino)pyridine-4-carboxamide
CID 109172228
5-bromo-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]furan-2-carboxamide
CID 16889512
N-[2-[4-(azepan-1-yl)phenyl]ethyl]-N'-(2-chlorophenyl)oxamide
CID 16891452
(Z)-2-cyano-N-(2-phenylethyl)-3-(4-piperidin-1-ylanilino)prop-2-enamide
CID 108835242

Frequently Asked Questions

What is the IUPAC name of 2,4-dihydroxy-N-(2-phenylethyl)-1-(4-piperidin-1-ylphenyl)pyrrole-3-carboxamide?
The IUPAC name of 2,4-dihydroxy-N-(2-phenylethyl)-1-(4-piperidin-1-ylphenyl)pyrrole-3-carboxamide (CID 91074763) is 2,4-dihydroxy-N-(2-phenylethyl)-1-(4-piperidin-1-ylphenyl)pyrrole-3-carboxamide.
What is the SMILES notation for 2,4-dihydroxy-N-(2-phenylethyl)-1-(4-piperidin-1-ylphenyl)pyrrole-3-carboxamide?
The canonical SMILES for 2,4-dihydroxy-N-(2-phenylethyl)-1-(4-piperidin-1-ylphenyl)pyrrole-3-carboxamide is O=C(NCCc1ccccc1)c1c(O)cn(-c2ccc(N3CCCCC3)cc2)c1O.
What is the InChIKey of 2,4-dihydroxy-N-(2-phenylethyl)-1-(4-piperidin-1-ylphenyl)pyrrole-3-carboxamide?
The InChIKey is IBKGKHXCKATOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c28-21-17-27(20-11-9-19(10-12-20)26-15-5-2-6-16-26)24(30)22(21)23(29)25-14-13-18-7-3-1-4-8-18/h1,3-4,7-12,17,28,30H,2,5-6,13-16H2,(H,25,29).
What are the key properties of 2,4-dihydroxy-N-(2-phenylethyl)-1-(4-piperidin-1-ylphenyl)pyrrole-3-carboxamide?
2,4-dihydroxy-N-(2-phenylethyl)-1-(4-piperidin-1-ylphenyl)pyrrole-3-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 3.85, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydroxy-N-(2-phenylethyl)-1-(4-piperidin-1-ylphenyl)pyrrole-3-carboxamide is sourced from PubChem (CID 91074763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).