N-butyl-4-[[2-[4-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide

C25H32N4O3 — CID 54841477

IUPACN-butyl-4-[[2-[4-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide
SMILESCCCCNC(=O)c1ccc(NC(=O)CNc2ccc(C(=O)N3CCCCC3)cc2)cc1
InChIInChI=1S/C25H32N4O3/c1-2-3-15-26-24(31)19-7-13-22(14-8-19)28-23(30)18-27-21-11-9-20(10-12-21)25(32)29-16-5-4-6-17-29/h7-14,27H,2-6,15-18H2,1H3,(H,26,31)(H,28,30)
InChIKeyWUSFBMLJLKJTSR-UHFFFAOYSA-N
MW436.56 g/mol
LogP3.89
Rot. Bonds9

About N-butyl-4-[[2-[4-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide

N-butyl-4-[[2-[4-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide (PubChem CID 54841477) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is N-butyl-4-[[2-[4-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-butyl-4-[[2-[4-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide
PubChem CID54841477
Molecular FormulaC25H32N4O3
Molecular Weight436.56 g/mol
Exact Mass436.25
IUPAC NameN-butyl-4-[[2-[4-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide
SMILESCCCCNC(=O)c1ccc(NC(=O)CNc2ccc(C(=O)N3CCCCC3)cc2)cc1
InChIInChI=1S/C25H32N4O3/c1-2-3-15-26-24(31)19-7-13-22(14-8-19)28-23(30)18-27-21-11-9-20(10-12-21)25(32)29-16-5-4-6-17-29/h7-14,27H,2-6,15-18H2,1H3,(H,26,31)(H,28,30)
InChIKeyWUSFBMLJLKJTSR-UHFFFAOYSA-N
XLogP3.89
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-methoxypropyl)-4-[[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54836675
N-butyl-4-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54832046
N-(3-methoxypropyl)-4-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54834129
N-butyl-4-[[2-[4-(butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54832366
N-(2-methoxyethyl)-4-[[2-oxo-2-[4-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54835788
N-[4-[[2-[4-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]phenyl]butanamide
CID 54836878
N-hexadecyl-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54835268
4-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]-N-propylbenzamide
CID 54831969
4-[[2-(4-acetamidoanilino)acetyl]amino]-N-butylbenzamide
CID 54809409
4-[(2-anilinoacetyl)amino]-N-butylbenzamide
CID 54810364
N,N-diethyl-4-[[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54834336
2-(heptylamino)-N-[4-(piperidine-1-carbonyl)phenyl]acetamide
CID 54814730

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-[[2-[4-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide?
The IUPAC name of N-butyl-4-[[2-[4-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide (CID 54841477) is N-butyl-4-[[2-[4-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide.
What is the SMILES notation for N-butyl-4-[[2-[4-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide?
The canonical SMILES for N-butyl-4-[[2-[4-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide is CCCCNC(=O)c1ccc(NC(=O)CNc2ccc(C(=O)N3CCCCC3)cc2)cc1.
What is the InChIKey of N-butyl-4-[[2-[4-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide?
The InChIKey is WUSFBMLJLKJTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3/c1-2-3-15-26-24(31)19-7-13-22(14-8-19)28-23(30)18-27-21-11-9-20(10-12-21)25(32)29-16-5-4-6-17-29/h7-14,27H,2-6,15-18H2,1H3,(H,26,31)(H,28,30).
What are the key properties of N-butyl-4-[[2-[4-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide?
N-butyl-4-[[2-[4-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide has a molecular weight of 436.56 g/mol, XLogP of 3.89, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-[[2-[4-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide is sourced from PubChem (CID 54841477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).