3-[[2-(3-acetamidopiperidin-1-yl)acetyl]amino]-N,N-dimethylbenzamide

C18H26N4O3 — CID 87017774

IUPAC3-[[2-(3-acetamidopiperidin-1-yl)acetyl]amino]-N,N-dimethylbenzamide
SMILESCC(=O)NC1CCCN(CC(=O)Nc2cccc(C(=O)N(C)C)c2)C1
InChIInChI=1S/C18H26N4O3/c1-13(23)19-16-8-5-9-22(11-16)12-17(24)20-15-7-4-6-14(10-15)18(25)21(2)3/h4,6-7,10,16H,5,8-9,11-12H2,1-3H3,(H,19,23)(H,20,24)
InChIKeyBGSQGIIFBPBMMN-UHFFFAOYSA-N
MW346.43 g/mol
LogP0.93
Rot. Bonds5

About 3-[[2-(3-acetamidopiperidin-1-yl)acetyl]amino]-N,N-dimethylbenzamide

3-[[2-(3-acetamidopiperidin-1-yl)acetyl]amino]-N,N-dimethylbenzamide (PubChem CID 87017774) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 3-[[2-(3-acetamidopiperidin-1-yl)acetyl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[[2-(3-acetamidopiperidin-1-yl)acetyl]amino]-N,N-dimethylbenzamide
PubChem CID87017774
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name3-[[2-(3-acetamidopiperidin-1-yl)acetyl]amino]-N,N-dimethylbenzamide
SMILESCC(=O)NC1CCCN(CC(=O)Nc2cccc(C(=O)N(C)C)c2)C1
InChIInChI=1S/C18H26N4O3/c1-13(23)19-16-8-5-9-22(11-16)12-17(24)20-15-7-4-6-14(10-15)18(25)21(2)3/h4,6-7,10,16H,5,8-9,11-12H2,1-3H3,(H,19,23)(H,20,24)
InChIKeyBGSQGIIFBPBMMN-UHFFFAOYSA-N
XLogP0.93
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-acetamidopiperidin-1-yl)-N-phenylacetamide
CID 60503649
1-[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethyl]-N-ethylpiperidine-3-carboxamide
CID 48937237
2-(3-acetamidopiperidin-1-yl)-N-(4-methylphenyl)acetamide
CID 60511665
1-[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119908871
N-(3-acetylphenyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide
CID 81493231
N-(3-chlorophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62545829
N-(3-iodophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119919334
2-(3-acetamidopiperidin-1-yl)-N-[3-(N-methylanilino)propyl]acetamide
CID 60503613
2-[(3S)-3-acetamidopiperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 94190647
3-[[2-[(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]acetyl]amino]-N,N-dimethylbenzamide
CID 166276577
N,N'-bis[3-(dimethylcarbamoyl)phenyl]butanediamide
CID 17232267
N-(3-acetylphenyl)-2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]acetamide
CID 79410437

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-acetamidopiperidin-1-yl)acetyl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 3-[[2-(3-acetamidopiperidin-1-yl)acetyl]amino]-N,N-dimethylbenzamide (CID 87017774) is 3-[[2-(3-acetamidopiperidin-1-yl)acetyl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[[2-(3-acetamidopiperidin-1-yl)acetyl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[[2-(3-acetamidopiperidin-1-yl)acetyl]amino]-N,N-dimethylbenzamide is CC(=O)NC1CCCN(CC(=O)Nc2cccc(C(=O)N(C)C)c2)C1.
What is the InChIKey of 3-[[2-(3-acetamidopiperidin-1-yl)acetyl]amino]-N,N-dimethylbenzamide?
The InChIKey is BGSQGIIFBPBMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-13(23)19-16-8-5-9-22(11-16)12-17(24)20-15-7-4-6-14(10-15)18(25)21(2)3/h4,6-7,10,16H,5,8-9,11-12H2,1-3H3,(H,19,23)(H,20,24).
What are the key properties of 3-[[2-(3-acetamidopiperidin-1-yl)acetyl]amino]-N,N-dimethylbenzamide?
3-[[2-(3-acetamidopiperidin-1-yl)acetyl]amino]-N,N-dimethylbenzamide has a molecular weight of 346.43 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-acetamidopiperidin-1-yl)acetyl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 87017774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).