N-benzyl-4-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide

C28H30N4O3 — CID 54843316

IUPACN-benzyl-4-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide
SMILESO=C(CNc1cccc(C(=O)N2CCCCC2)c1)Nc1ccc(C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C28H30N4O3/c33-26(20-29-25-11-7-10-23(18-25)28(35)32-16-5-2-6-17-32)31-24-14-12-22(13-15-24)27(34)30-19-21-8-3-1-4-9-21/h1,3-4,7-15,18,29H,2,5-6,16-17,19-20H2,(H,30,34)(H,31,33)
InChIKeyJNYBKGRYWGXDRM-UHFFFAOYSA-N
MW470.57 g/mol
LogP4.29
Rot. Bonds8

About N-benzyl-4-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide

N-benzyl-4-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide (PubChem CID 54843316) has the molecular formula C28H30N4O3 and a molecular weight of 470.57 g/mol. Its IUPAC name is N-benzyl-4-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-benzyl-4-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide
PubChem CID54843316
Molecular FormulaC28H30N4O3
Molecular Weight470.57 g/mol
Exact Mass470.23
IUPAC NameN-benzyl-4-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide
SMILESO=C(CNc1cccc(C(=O)N2CCCCC2)c1)Nc1ccc(C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C28H30N4O3/c33-26(20-29-25-11-7-10-23(18-25)28(35)32-16-5-2-6-17-32)31-24-14-12-22(13-15-24)27(34)30-19-21-8-3-1-4-9-21/h1,3-4,7-15,18,29H,2,5-6,16-17,19-20H2,(H,30,34)(H,31,33)
InChIKeyJNYBKGRYWGXDRM-UHFFFAOYSA-N
XLogP4.29
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-[3-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]-N-benzylbenzamide
CID 54844455
N-[3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]benzamide
CID 54841067
4-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54843470
N-benzyl-3-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]benzamide
CID 54832065
N-methyl-N-phenyl-4-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54843314
N-ethyl-4-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54839148
N-ethyl-3-[[2-oxo-2-[4-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54837778
4-[[2-[3-(azepane-1-carbonyl)anilino]acetyl]amino]-N-cyclohexylbenzamide
CID 54841677
N-benzyl-4-[[2-(3-bromoanilino)acetyl]amino]benzamide
CID 54840404
2-[3-(azepane-1-carbonyl)anilino]-N-(4-chlorophenyl)acetamide
CID 54841635
N-ethyl-3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54838048
N-[4-(morpholine-4-carbonyl)phenyl]-2-[3-(piperidine-1-carbonyl)anilino]acetamide
CID 54843375

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide?
The IUPAC name of N-benzyl-4-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide (CID 54843316) is N-benzyl-4-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide.
What is the SMILES notation for N-benzyl-4-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide?
The canonical SMILES for N-benzyl-4-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide is O=C(CNc1cccc(C(=O)N2CCCCC2)c1)Nc1ccc(C(=O)NCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-4-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide?
The InChIKey is JNYBKGRYWGXDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O3/c33-26(20-29-25-11-7-10-23(18-25)28(35)32-16-5-2-6-17-32)31-24-14-12-22(13-15-24)27(34)30-19-21-8-3-1-4-9-21/h1,3-4,7-15,18,29H,2,5-6,16-17,19-20H2,(H,30,34)(H,31,33).
What are the key properties of N-benzyl-4-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide?
N-benzyl-4-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide has a molecular weight of 470.57 g/mol, XLogP of 4.29, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide is sourced from PubChem (CID 54843316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).