N,N-diethyl-4-[2-(4-methoxyphenyl)acetyl]piperazine-1-carboxamide

C18H27N3O3 — CID 110365832

IUPACN,N-diethyl-4-[2-(4-methoxyphenyl)acetyl]piperazine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCN(C(=O)Cc2ccc(OC)cc2)CC1
InChIInChI=1S/C18H27N3O3/c1-4-19(5-2)18(23)21-12-10-20(11-13-21)17(22)14-15-6-8-16(24-3)9-7-15/h6-9H,4-5,10-14H2,1-3H3
InChIKeyWOLDGNGJIVOGKY-UHFFFAOYSA-N
MW333.43 g/mol
LogP1.84
Rot. Bonds5

About N,N-diethyl-4-[2-(4-methoxyphenyl)acetyl]piperazine-1-carboxamide

N,N-diethyl-4-[2-(4-methoxyphenyl)acetyl]piperazine-1-carboxamide (PubChem CID 110365832) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is N,N-diethyl-4-[2-(4-methoxyphenyl)acetyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-4-[2-(4-methoxyphenyl)acetyl]piperazine-1-carboxamide
PubChem CID110365832
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC NameN,N-diethyl-4-[2-(4-methoxyphenyl)acetyl]piperazine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCN(C(=O)Cc2ccc(OC)cc2)CC1
InChIInChI=1S/C18H27N3O3/c1-4-19(5-2)18(23)21-12-10-20(11-13-21)17(22)14-15-6-8-16(24-3)9-7-15/h6-9H,4-5,10-14H2,1-3H3
InChIKeyWOLDGNGJIVOGKY-UHFFFAOYSA-N
XLogP1.84
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-4-[2-(4-methoxyphenoxy)acetyl]piperazine-1-carboxamide
CID 110365995
4-[2-(4-methoxyphenyl)acetyl]-N,N-dimethyl-1,4-diazepane-1-carboxamide
CID 110359176
4-[2-(4-aminophenyl)acetyl]-N,N-diethylpiperazine-1-carboxamide;hydrochloride
CID 119718562
2-(4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone;hydrochloride
CID 17387901
1-[4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 48867817
2-(4-methoxyphenyl)-1-(1-oxo-1,4-thiazinan-4-yl)ethanone
CID 110721524
3-methoxy-1-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]propan-1-one
CID 108534028
2-(4-methoxyphenyl)-1-(4-pentylpiperazin-1-yl)ethanone
CID 113075099
2-(4-methoxyphenyl)-1-thiomorpholin-4-ylethanone
CID 78793597
1-(4-ethylpiperidin-1-yl)-2-(4-methoxyphenyl)ethanone
CID 67585408
1-[4-(dimethylamino)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 110866811
2-(4-methoxyphenyl)-1-[4-(3-methylbutyl)piperazin-1-yl]ethanone
CID 113075008

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[2-(4-methoxyphenyl)acetyl]piperazine-1-carboxamide?
The IUPAC name of N,N-diethyl-4-[2-(4-methoxyphenyl)acetyl]piperazine-1-carboxamide (CID 110365832) is N,N-diethyl-4-[2-(4-methoxyphenyl)acetyl]piperazine-1-carboxamide.
What is the SMILES notation for N,N-diethyl-4-[2-(4-methoxyphenyl)acetyl]piperazine-1-carboxamide?
The canonical SMILES for N,N-diethyl-4-[2-(4-methoxyphenyl)acetyl]piperazine-1-carboxamide is CCN(CC)C(=O)N1CCN(C(=O)Cc2ccc(OC)cc2)CC1.
What is the InChIKey of N,N-diethyl-4-[2-(4-methoxyphenyl)acetyl]piperazine-1-carboxamide?
The InChIKey is WOLDGNGJIVOGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-4-19(5-2)18(23)21-12-10-20(11-13-21)17(22)14-15-6-8-16(24-3)9-7-15/h6-9H,4-5,10-14H2,1-3H3.
What are the key properties of N,N-diethyl-4-[2-(4-methoxyphenyl)acetyl]piperazine-1-carboxamide?
N,N-diethyl-4-[2-(4-methoxyphenyl)acetyl]piperazine-1-carboxamide has a molecular weight of 333.43 g/mol, XLogP of 1.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[2-(4-methoxyphenyl)acetyl]piperazine-1-carboxamide is sourced from PubChem (CID 110365832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).