N-[3-[[2-[4-(piperidine-1-carbonyl)anilino]acetyl]amino]phenyl]furan-2-carboxamide

C25H26N4O4 — CID 54841812

IUPACN-[3-[[2-[4-(piperidine-1-carbonyl)anilino]acetyl]amino]phenyl]furan-2-carboxamide
SMILESO=C(CNc1ccc(C(=O)N2CCCCC2)cc1)Nc1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C25H26N4O4/c30-23(27-20-6-4-7-21(16-20)28-24(31)22-8-5-15-33-22)17-26-19-11-9-18(10-12-19)25(32)29-13-2-1-3-14-29/h4-12,15-16,26H,1-3,13-14,17H2,(H,27,30)(H,28,31)
InChIKeyUXZGVEOXMNJSCB-UHFFFAOYSA-N
MW446.51 g/mol
LogP4.21
Rot. Bonds7

About N-[3-[[2-[4-(piperidine-1-carbonyl)anilino]acetyl]amino]phenyl]furan-2-carboxamide

N-[3-[[2-[4-(piperidine-1-carbonyl)anilino]acetyl]amino]phenyl]furan-2-carboxamide (PubChem CID 54841812) has the molecular formula C25H26N4O4 and a molecular weight of 446.51 g/mol. Its IUPAC name is N-[3-[[2-[4-(piperidine-1-carbonyl)anilino]acetyl]amino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-[4-(piperidine-1-carbonyl)anilino]acetyl]amino]phenyl]furan-2-carboxamide
PubChem CID54841812
Molecular FormulaC25H26N4O4
Molecular Weight446.51 g/mol
Exact Mass446.20
IUPAC NameN-[3-[[2-[4-(piperidine-1-carbonyl)anilino]acetyl]amino]phenyl]furan-2-carboxamide
SMILESO=C(CNc1ccc(C(=O)N2CCCCC2)cc1)Nc1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C25H26N4O4/c30-23(27-20-6-4-7-21(16-20)28-24(31)22-8-5-15-33-22)17-26-19-11-9-18(10-12-19)25(32)29-13-2-1-3-14-29/h4-12,15-16,26H,1-3,13-14,17H2,(H,27,30)(H,28,31)
InChIKeyUXZGVEOXMNJSCB-UHFFFAOYSA-N
XLogP4.21
TPSA103.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[[2-[3-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide
CID 54843452
N-[4-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 9035306
N-[3-[[2-[4-(tert-butylcarbamoyl)anilino]acetyl]amino]phenyl]furan-2-carboxamide
CID 54834446
2-[4-(morpholine-4-carbonyl)anilino]-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
CID 54832001
N-[3-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]butanamide
CID 54834226
N-[3-[[2-[4-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]phenyl]-3-phenylpropanamide
CID 54837346
N-(furan-2-ylmethyl)-4-[[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54843208
2-[4-(azepane-1-carbonyl)anilino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 54834910
2-anilino-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 119702402
3-[[2-[4-(azepane-1-carbonyl)anilino]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54835179
N,N-dimethyl-3-[3-[[2-[4-(piperidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide
CID 54841512
N-[3-[[2-(4-iodoanilino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide
CID 54843288

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-[4-(piperidine-1-carbonyl)anilino]acetyl]amino]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[[2-[4-(piperidine-1-carbonyl)anilino]acetyl]amino]phenyl]furan-2-carboxamide (CID 54841812) is N-[3-[[2-[4-(piperidine-1-carbonyl)anilino]acetyl]amino]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[[2-[4-(piperidine-1-carbonyl)anilino]acetyl]amino]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[[2-[4-(piperidine-1-carbonyl)anilino]acetyl]amino]phenyl]furan-2-carboxamide is O=C(CNc1ccc(C(=O)N2CCCCC2)cc1)Nc1cccc(NC(=O)c2ccco2)c1.
What is the InChIKey of N-[3-[[2-[4-(piperidine-1-carbonyl)anilino]acetyl]amino]phenyl]furan-2-carboxamide?
The InChIKey is UXZGVEOXMNJSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O4/c30-23(27-20-6-4-7-21(16-20)28-24(31)22-8-5-15-33-22)17-26-19-11-9-18(10-12-19)25(32)29-13-2-1-3-14-29/h4-12,15-16,26H,1-3,13-14,17H2,(H,27,30)(H,28,31).
What are the key properties of N-[3-[[2-[4-(piperidine-1-carbonyl)anilino]acetyl]amino]phenyl]furan-2-carboxamide?
N-[3-[[2-[4-(piperidine-1-carbonyl)anilino]acetyl]amino]phenyl]furan-2-carboxamide has a molecular weight of 446.51 g/mol, XLogP of 4.21, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-[4-(piperidine-1-carbonyl)anilino]acetyl]amino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 54841812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).