N,N-dimethyl-4-[1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]piperazine-1-carboxamide

C19H30N4O2 — CID 86984071

IUPACN,N-dimethyl-4-[1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]piperazine-1-carboxamide
SMILESCc1cc(C)c(NC(=O)C(C)N2CCN(C(=O)N(C)C)CC2)c(C)c1
InChIInChI=1S/C19H30N4O2/c1-13-11-14(2)17(15(3)12-13)20-18(24)16(4)22-7-9-23(10-8-22)19(25)21(5)6/h11-12,16H,7-10H2,1-6H3,(H,20,24)
InChIKeyAKCKQUOUABOUOW-UHFFFAOYSA-N
MW346.48 g/mol
LogP2.24
Rot. Bonds3

About N,N-dimethyl-4-[1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]piperazine-1-carboxamide

N,N-dimethyl-4-[1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]piperazine-1-carboxamide (PubChem CID 86984071) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is N,N-dimethyl-4-[1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]piperazine-1-carboxamide
PubChem CID86984071
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC NameN,N-dimethyl-4-[1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]piperazine-1-carboxamide
SMILESCc1cc(C)c(NC(=O)C(C)N2CCN(C(=O)N(C)C)CC2)c(C)c1
InChIInChI=1S/C19H30N4O2/c1-13-11-14(2)17(15(3)12-13)20-18(24)16(4)22-7-9-23(10-8-22)19(25)21(5)6/h11-12,16H,7-10H2,1-6H3,(H,20,24)
InChIKeyAKCKQUOUABOUOW-UHFFFAOYSA-N
XLogP2.24
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-oxopiperidin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide
CID 82342693
2-(4-cyclopentylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide
CID 86928056
(2S)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide
CID 9257224
(2R)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide
CID 8774722
(2R)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide
CID 9266285
2-[4-[2-(ethylamino)-2-oxoethyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide
CID 86923497
2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide
CID 84822086
(2R)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide
CID 8720823
2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide
CID 78896879
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide
CID 120774348
4-[1-(4-bromo-2-fluoroanilino)-1-oxopropan-2-yl]-N,N-dimethylpiperazine-1-carboxamide
CID 55682508
2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide
CID 84965791

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]piperazine-1-carboxamide?
The IUPAC name of N,N-dimethyl-4-[1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]piperazine-1-carboxamide (CID 86984071) is N,N-dimethyl-4-[1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]piperazine-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-[1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]piperazine-1-carboxamide?
The canonical SMILES for N,N-dimethyl-4-[1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]piperazine-1-carboxamide is Cc1cc(C)c(NC(=O)C(C)N2CCN(C(=O)N(C)C)CC2)c(C)c1.
What is the InChIKey of N,N-dimethyl-4-[1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]piperazine-1-carboxamide?
The InChIKey is AKCKQUOUABOUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-13-11-14(2)17(15(3)12-13)20-18(24)16(4)22-7-9-23(10-8-22)19(25)21(5)6/h11-12,16H,7-10H2,1-6H3,(H,20,24).
What are the key properties of N,N-dimethyl-4-[1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]piperazine-1-carboxamide?
N,N-dimethyl-4-[1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]piperazine-1-carboxamide has a molecular weight of 346.48 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]piperazine-1-carboxamide is sourced from PubChem (CID 86984071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).