4-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]-N-propan-2-ylbenzamide

C24H30N4O3 — CID 54843470

IUPAC4-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(NC(=O)CNc2cccc(C(=O)N3CCCCC3)c2)cc1
InChIInChI=1S/C24H30N4O3/c1-17(2)26-23(30)18-9-11-20(12-10-18)27-22(29)16-25-21-8-6-7-19(15-21)24(31)28-13-4-3-5-14-28/h6-12,15,17,25H,3-5,13-14,16H2,1-2H3,(H,26,30)(H,27,29)
InChIKeySNBVYZQKIKFZND-UHFFFAOYSA-N
MW422.53 g/mol
LogP3.50
Rot. Bonds7

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

4-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]-N-propan-2-ylbenzamide (PubChem CID 54843470) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is 4-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]-N-propan-2-ylbenzamide
PubChem CID54843470
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC Name4-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(NC(=O)CNc2cccc(C(=O)N3CCCCC3)c2)cc1
InChIInChI=1S/C24H30N4O3/c1-17(2)26-23(30)18-9-11-20(12-10-18)27-22(29)16-25-21-8-6-7-19(15-21)24(31)28-13-4-3-5-14-28/h6-12,15,17,25H,3-5,13-14,16H2,1-2H3,(H,26,30)(H,27,29)
InChIKeySNBVYZQKIKFZND-UHFFFAOYSA-N
XLogP3.50
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]-N-propan-2-ylbenzamide
CID 54833646
3-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54843467
3-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]-N-propan-2-ylbenzamide
CID 54833558
N-[4-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide
CID 54841208
N-[4-[[2-[3-(azepane-1-carbonyl)anilino]acetyl]amino]phenyl]-3-methylbenzamide
CID 54841798
2-[3-(azepane-1-carbonyl)anilino]-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54841463
N-(1-phenylethyl)-3-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54843624
4-[[2-[3-(azepane-1-carbonyl)anilino]acetyl]amino]-N-cyclohexylbenzamide
CID 54841677
N-[3-[[2-[3-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]phenyl]propanamide
CID 54833152
2-[3-(azepane-1-carbonyl)anilino]-N-(4-chlorophenyl)acetamide
CID 54841635
3-[[2-oxo-2-[4-(propan-2-ylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54842589
N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54841292

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]-N-propan-2-ylbenzamide?
The IUPAC name of 4-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]-N-propan-2-ylbenzamide (CID 54843470) is 4-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccc(NC(=O)CNc2cccc(C(=O)N3CCCCC3)c2)cc1.
What is the InChIKey of 4-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]-N-propan-2-ylbenzamide?
The InChIKey is SNBVYZQKIKFZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-17(2)26-23(30)18-9-11-20(12-10-18)27-22(29)16-25-21-8-6-7-19(15-21)24(31)28-13-4-3-5-14-28/h6-12,15,17,25H,3-5,13-14,16H2,1-2H3,(H,26,30)(H,27,29).
What are the key properties of 4-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]-N-propan-2-ylbenzamide?
4-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]-N-propan-2-ylbenzamide has a molecular weight of 422.53 g/mol, XLogP of 3.50, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 54843470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).