N-[4-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-(morpholine-4-carbonyl)phenyl]furan-2-carboxamide

C27H27FN4O5 — CID 42678329

IUPACN-[4-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-(morpholine-4-carbonyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(N2CCN(C(=O)c3cccc(F)c3)CC2)c(C(=O)N2CCOCC2)c1)c1ccco1
InChIInChI=1S/C27H27FN4O5/c28-20-4-1-3-19(17-20)26(34)31-10-8-30(9-11-31)23-7-6-21(29-25(33)24-5-2-14-37-24)18-22(23)27(35)32-12-15-36-16-13-32/h1-7,14,17-18H,8-13,15-16H2,(H,29,33)
InChIKeyCJDNLPCTOZZTAH-UHFFFAOYSA-N
MW506.53 g/mol
LogP3.11
Rot. Bonds5

About N-[4-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-(morpholine-4-carbonyl)phenyl]furan-2-carboxamide

N-[4-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-(morpholine-4-carbonyl)phenyl]furan-2-carboxamide (PubChem CID 42678329) has the molecular formula C27H27FN4O5 and a molecular weight of 506.53 g/mol. Its IUPAC name is N-[4-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-(morpholine-4-carbonyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-(morpholine-4-carbonyl)phenyl]furan-2-carboxamide
PubChem CID42678329
Molecular FormulaC27H27FN4O5
Molecular Weight506.53 g/mol
Exact Mass506.20
IUPAC NameN-[4-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-(morpholine-4-carbonyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(N2CCN(C(=O)c3cccc(F)c3)CC2)c(C(=O)N2CCOCC2)c1)c1ccco1
InChIInChI=1S/C27H27FN4O5/c28-20-4-1-3-19(17-20)26(34)31-10-8-30(9-11-31)23-7-6-21(29-25(33)24-5-2-14-37-24)18-22(23)27(35)32-12-15-36-16-13-32/h1-7,14,17-18H,8-13,15-16H2,(H,29,33)
InChIKeyCJDNLPCTOZZTAH-UHFFFAOYSA-N
XLogP3.11
TPSA95.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.53
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-3-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 42678536
3-fluoro-N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 42671914
N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(pyrrolidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 42671906
N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 42678369
N-[4-[4-(2-fluorobenzoyl)piperazin-1-yl]-3-(morpholine-4-carbonyl)phenyl]benzamide
CID 42678325
3-fluoro-N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]benzamide
CID 649966
N-(3-carbamoyl-4-morpholin-4-ylphenyl)furan-2-carboxamide
CID 886010
3-fluoro-N-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 1055003
4-(3-fluorobenzoyl)-N-(3-fluoro-4-morpholin-4-ylphenyl)piperazine-1-carboxamide
CID 25094760
N-[[3-chloro-4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]-3-fluorobenzamide
CID 17116278
4-chloro-N-[4-[4-(2-fluorobenzoyl)piperazin-1-yl]-3-(morpholine-4-carbonyl)phenyl]benzamide
CID 42678327
N-[3-chloro-4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]furan-2-carboxamide
CID 3161475

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-(morpholine-4-carbonyl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-(morpholine-4-carbonyl)phenyl]furan-2-carboxamide (CID 42678329) is N-[4-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-(morpholine-4-carbonyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-(morpholine-4-carbonyl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-(morpholine-4-carbonyl)phenyl]furan-2-carboxamide is O=C(Nc1ccc(N2CCN(C(=O)c3cccc(F)c3)CC2)c(C(=O)N2CCOCC2)c1)c1ccco1.
What is the InChIKey of N-[4-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-(morpholine-4-carbonyl)phenyl]furan-2-carboxamide?
The InChIKey is CJDNLPCTOZZTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN4O5/c28-20-4-1-3-19(17-20)26(34)31-10-8-30(9-11-31)23-7-6-21(29-25(33)24-5-2-14-37-24)18-22(23)27(35)32-12-15-36-16-13-32/h1-7,14,17-18H,8-13,15-16H2,(H,29,33).
What are the key properties of N-[4-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-(morpholine-4-carbonyl)phenyl]furan-2-carboxamide?
N-[4-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-(morpholine-4-carbonyl)phenyl]furan-2-carboxamide has a molecular weight of 506.53 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-(morpholine-4-carbonyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 42678329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).