1-[2-[N-(2,2-dimethylpropanoyl)-3,5-dimethylanilino]acetyl]piperidine-4-carboxamide

C21H31N3O3 — CID 110675021

IUPAC1-[2-[N-(2,2-dimethylpropanoyl)-3,5-dimethylanilino]acetyl]piperidine-4-carboxamide
SMILESCc1cc(C)cc(N(CC(=O)N2CCC(C(N)=O)CC2)C(=O)C(C)(C)C)c1
InChIInChI=1S/C21H31N3O3/c1-14-10-15(2)12-17(11-14)24(20(27)21(3,4)5)13-18(25)23-8-6-16(7-9-23)19(22)26/h10-12,16H,6-9,13H2,1-5H3,(H2,22,26)
InChIKeyHUIZTKYYWBDRSY-UHFFFAOYSA-N
MW373.50 g/mol
LogP2.41
Rot. Bonds4

About 1-[2-[N-(2,2-dimethylpropanoyl)-3,5-dimethylanilino]acetyl]piperidine-4-carboxamide

1-[2-[N-(2,2-dimethylpropanoyl)-3,5-dimethylanilino]acetyl]piperidine-4-carboxamide (PubChem CID 110675021) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is 1-[2-[N-(2,2-dimethylpropanoyl)-3,5-dimethylanilino]acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[N-(2,2-dimethylpropanoyl)-3,5-dimethylanilino]acetyl]piperidine-4-carboxamide
PubChem CID110675021
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC Name1-[2-[N-(2,2-dimethylpropanoyl)-3,5-dimethylanilino]acetyl]piperidine-4-carboxamide
SMILESCc1cc(C)cc(N(CC(=O)N2CCC(C(N)=O)CC2)C(=O)C(C)(C)C)c1
InChIInChI=1S/C21H31N3O3/c1-14-10-15(2)12-17(11-14)24(20(27)21(3,4)5)13-18(25)23-8-6-16(7-9-23)19(22)26/h10-12,16H,6-9,13H2,1-5H3,(H2,22,26)
InChIKeyHUIZTKYYWBDRSY-UHFFFAOYSA-N
XLogP2.41
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-dimethylphenyl)-2,2-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)propanamide
CID 110675011
N-(3,5-dimethylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 113168438
1-[2-(4-tert-butyl-2,6-dimethylphenyl)acetyl]piperidine-4-carboxamide
CID 110769588
ethyl 4-[2-(N-acetyl-3,5-dimethylanilino)acetyl]piperazine-1-carboxylate
CID 113168491
1-(3-amino-3-methylbutanoyl)piperidine-4-carboxamide
CID 64683539
1-(4,4-dimethylpentanoyl)piperidine-4-carboxamide
CID 119137408
1-[2-(2,4,5-trichloro-N-methylsulfonylanilino)acetyl]piperidine-4-carboxamide
CID 1251616
1-(3-fluoro-5-methylbenzoyl)piperidine-4-carboxamide
CID 119138735
1-(2-bromo-2-methylpropanoyl)piperidine-4-carboxamide
CID 82109099
N-(3,5-dimethylphenyl)-N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 113168511
2-[tert-butyl-(4-carbamoylpiperidine-1-carbonyl)amino]acetic acid
CID 79256496
1-[2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]acetyl]piperidine-4-carboxamide
CID 47053801

Frequently Asked Questions

What is the IUPAC name of 1-[2-[N-(2,2-dimethylpropanoyl)-3,5-dimethylanilino]acetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[N-(2,2-dimethylpropanoyl)-3,5-dimethylanilino]acetyl]piperidine-4-carboxamide (CID 110675021) is 1-[2-[N-(2,2-dimethylpropanoyl)-3,5-dimethylanilino]acetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[N-(2,2-dimethylpropanoyl)-3,5-dimethylanilino]acetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[N-(2,2-dimethylpropanoyl)-3,5-dimethylanilino]acetyl]piperidine-4-carboxamide is Cc1cc(C)cc(N(CC(=O)N2CCC(C(N)=O)CC2)C(=O)C(C)(C)C)c1.
What is the InChIKey of 1-[2-[N-(2,2-dimethylpropanoyl)-3,5-dimethylanilino]acetyl]piperidine-4-carboxamide?
The InChIKey is HUIZTKYYWBDRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-14-10-15(2)12-17(11-14)24(20(27)21(3,4)5)13-18(25)23-8-6-16(7-9-23)19(22)26/h10-12,16H,6-9,13H2,1-5H3,(H2,22,26).
What are the key properties of 1-[2-[N-(2,2-dimethylpropanoyl)-3,5-dimethylanilino]acetyl]piperidine-4-carboxamide?
1-[2-[N-(2,2-dimethylpropanoyl)-3,5-dimethylanilino]acetyl]piperidine-4-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[N-(2,2-dimethylpropanoyl)-3,5-dimethylanilino]acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 110675021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).