N,N-dimethyl-4-[2-(4-methylphenyl)acetyl]piperazine-1-carboxamide

C16H23N3O2 — CID 110365768

IUPACN,N-dimethyl-4-[2-(4-methylphenyl)acetyl]piperazine-1-carboxamide
SMILESCc1ccc(CC(=O)N2CCN(C(=O)N(C)C)CC2)cc1
InChIInChI=1S/C16H23N3O2/c1-13-4-6-14(7-5-13)12-15(20)18-8-10-19(11-9-18)16(21)17(2)3/h4-7H,8-12H2,1-3H3
InChIKeyGCULRAGUPLETMB-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.36
Rot. Bonds2

About N,N-dimethyl-4-[2-(4-methylphenyl)acetyl]piperazine-1-carboxamide

N,N-dimethyl-4-[2-(4-methylphenyl)acetyl]piperazine-1-carboxamide (PubChem CID 110365768) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N,N-dimethyl-4-[2-(4-methylphenyl)acetyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[2-(4-methylphenyl)acetyl]piperazine-1-carboxamide
PubChem CID110365768
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN,N-dimethyl-4-[2-(4-methylphenyl)acetyl]piperazine-1-carboxamide
SMILESCc1ccc(CC(=O)N2CCN(C(=O)N(C)C)CC2)cc1
InChIInChI=1S/C16H23N3O2/c1-13-4-6-14(7-5-13)12-15(20)18-8-10-19(11-9-18)16(21)17(2)3/h4-7H,8-12H2,1-3H3
InChIKeyGCULRAGUPLETMB-UHFFFAOYSA-N
XLogP1.36
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(4-methoxyphenyl)acetyl]-N,N-dimethyl-1,4-diazepane-1-carboxamide
CID 110359176
3-amino-1-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]butan-1-one
CID 119767921
1-[4-[2-(methylamino)acetyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone;hydrochloride
CID 119767898
1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 43416163
1-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one
CID 110666254
1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 113075462
1-[4-[2-(1-hydroxycyclopentyl)acetyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 111432626
N-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]propanamide
CID 46046700
1-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 110804228
1-[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 56794216
1-[4-(chloromethyl)piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 63397980
1-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 110818906

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[2-(4-methylphenyl)acetyl]piperazine-1-carboxamide?
The IUPAC name of N,N-dimethyl-4-[2-(4-methylphenyl)acetyl]piperazine-1-carboxamide (CID 110365768) is N,N-dimethyl-4-[2-(4-methylphenyl)acetyl]piperazine-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-[2-(4-methylphenyl)acetyl]piperazine-1-carboxamide?
The canonical SMILES for N,N-dimethyl-4-[2-(4-methylphenyl)acetyl]piperazine-1-carboxamide is Cc1ccc(CC(=O)N2CCN(C(=O)N(C)C)CC2)cc1.
What is the InChIKey of N,N-dimethyl-4-[2-(4-methylphenyl)acetyl]piperazine-1-carboxamide?
The InChIKey is GCULRAGUPLETMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-13-4-6-14(7-5-13)12-15(20)18-8-10-19(11-9-18)16(21)17(2)3/h4-7H,8-12H2,1-3H3.
What are the key properties of N,N-dimethyl-4-[2-(4-methylphenyl)acetyl]piperazine-1-carboxamide?
N,N-dimethyl-4-[2-(4-methylphenyl)acetyl]piperazine-1-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[2-(4-methylphenyl)acetyl]piperazine-1-carboxamide is sourced from PubChem (CID 110365768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).