N,N-diethyl-4-(4-methylbenzoyl)piperazine-1-carboxamide

C17H25N3O2 — CID 110365441

IUPACN,N-diethyl-4-(4-methylbenzoyl)piperazine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCN(C(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C17H25N3O2/c1-4-18(5-2)17(22)20-12-10-19(11-13-20)16(21)15-8-6-14(3)7-9-15/h6-9H,4-5,10-13H2,1-3H3
InChIKeyYFLBZFNOTDOPKE-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.21
Rot. Bonds3

About N,N-diethyl-4-(4-methylbenzoyl)piperazine-1-carboxamide

N,N-diethyl-4-(4-methylbenzoyl)piperazine-1-carboxamide (PubChem CID 110365441) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N,N-diethyl-4-(4-methylbenzoyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-4-(4-methylbenzoyl)piperazine-1-carboxamide
PubChem CID110365441
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN,N-diethyl-4-(4-methylbenzoyl)piperazine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCN(C(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C17H25N3O2/c1-4-18(5-2)17(22)20-12-10-19(11-13-20)16(21)15-8-6-14(3)7-9-15/h6-9H,4-5,10-13H2,1-3H3
InChIKeyYFLBZFNOTDOPKE-UHFFFAOYSA-N
XLogP2.21
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methylphenyl)-pyrrolidin-1-ylmethanone;propane
CID 143994279
ethyl 4-(4-methylbenzoyl)piperazine-1-carboxylate
CID 3146125
4-(4-benzamidobenzoyl)-N,N-diethylpiperazine-1-carboxamide
CID 34221114
4-(4-acetylpiperazine-1-carbonyl)-N,N-diethylbenzamide
CID 109046463
4-[2-amino-2-(4-methylphenyl)acetyl]-N,N-diethylpiperazine-1-carboxamide
CID 120667255
2-methyl-1-[4-(4-methylbenzoyl)piperazin-1-yl]propan-1-one
CID 110365423
N,N-diethyl-4-[4-(4-propan-2-ylbenzoyl)piperazine-1-carbonyl]piperidine-1-carboxamide
CID 55683412
3-methyl-1-[4-(4-methylbenzoyl)piperazin-1-yl]butan-1-one
CID 110365425
(4-aminopiperazin-1-yl)-(4-methylphenyl)methanone
CID 82285874
1-[3-(4-methylbenzoyl)imidazolidin-1-yl]propan-1-one
CID 4621102
2-[4-(4-methylbenzoyl)piperazin-1-yl]acetic acid
CID 2050629
ethane;(4-methylphenyl)-morpholin-4-ylmethanone;propane
CID 176553137

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(4-methylbenzoyl)piperazine-1-carboxamide?
The IUPAC name of N,N-diethyl-4-(4-methylbenzoyl)piperazine-1-carboxamide (CID 110365441) is N,N-diethyl-4-(4-methylbenzoyl)piperazine-1-carboxamide.
What is the SMILES notation for N,N-diethyl-4-(4-methylbenzoyl)piperazine-1-carboxamide?
The canonical SMILES for N,N-diethyl-4-(4-methylbenzoyl)piperazine-1-carboxamide is CCN(CC)C(=O)N1CCN(C(=O)c2ccc(C)cc2)CC1.
What is the InChIKey of N,N-diethyl-4-(4-methylbenzoyl)piperazine-1-carboxamide?
The InChIKey is YFLBZFNOTDOPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-4-18(5-2)17(22)20-12-10-19(11-13-20)16(21)15-8-6-14(3)7-9-15/h6-9H,4-5,10-13H2,1-3H3.
What are the key properties of N,N-diethyl-4-(4-methylbenzoyl)piperazine-1-carboxamide?
N,N-diethyl-4-(4-methylbenzoyl)piperazine-1-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(4-methylbenzoyl)piperazine-1-carboxamide is sourced from PubChem (CID 110365441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).