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

C18H27N3O4 — CID 110365995

IUPACN,N-diethyl-4-[2-(4-methoxyphenoxy)acetyl]piperazine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCN(C(=O)COc2ccc(OC)cc2)CC1
InChIInChI=1S/C18H27N3O4/c1-4-19(5-2)18(23)21-12-10-20(11-13-21)17(22)14-25-16-8-6-15(24-3)7-9-16/h6-9H,4-5,10-14H2,1-3H3
InChIKeyKJZXGMADWZLAOE-UHFFFAOYSA-N
MW349.43 g/mol
LogP1.68
Rot. Bonds6

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

N,N-diethyl-4-[2-(4-methoxyphenoxy)acetyl]piperazine-1-carboxamide (PubChem CID 110365995) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is N,N-diethyl-4-[2-(4-methoxyphenoxy)acetyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-4-[2-(4-methoxyphenoxy)acetyl]piperazine-1-carboxamide
PubChem CID110365995
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC NameN,N-diethyl-4-[2-(4-methoxyphenoxy)acetyl]piperazine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCN(C(=O)COc2ccc(OC)cc2)CC1
InChIInChI=1S/C18H27N3O4/c1-4-19(5-2)18(23)21-12-10-20(11-13-21)17(22)14-25-16-8-6-15(24-3)7-9-16/h6-9H,4-5,10-14H2,1-3H3
InChIKeyKJZXGMADWZLAOE-UHFFFAOYSA-N
XLogP1.68
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-4-(2-naphthalen-2-yloxyacetyl)piperazine-1-carboxamide
CID 34222283
N,N-diethyl-4-[2-(4-methoxyphenyl)acetyl]piperazine-1-carboxamide
CID 110365832
2-[4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-yl]-2-oxoacetic acid
CID 2050601
1-[4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 48867817
N,N-diethyl-4-[2-(2-methylphenoxy)acetyl]piperazine-1-carboxamide
CID 110366149
2-(4-methoxyphenoxy)-1-(4-propylsulfonylpiperazin-1-yl)ethanone
CID 1151700
1-(4-aminopiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone
CID 82042591
3-(4-hydroxyphenoxy)-1-[4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-yl]propan-1-one
CID 4740376
2-(4-methoxyphenoxy)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethanone
CID 9253973
2-(4-methoxyphenoxy)-1-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 122334342
2-(4-methoxyphenoxy)-1-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]ethanone
CID 2877882
1-[4-[2-(4-ethoxyphenoxy)acetyl]piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 108536873

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[2-(4-methoxyphenoxy)acetyl]piperazine-1-carboxamide?
The IUPAC name of N,N-diethyl-4-[2-(4-methoxyphenoxy)acetyl]piperazine-1-carboxamide (CID 110365995) is N,N-diethyl-4-[2-(4-methoxyphenoxy)acetyl]piperazine-1-carboxamide.
What is the SMILES notation for N,N-diethyl-4-[2-(4-methoxyphenoxy)acetyl]piperazine-1-carboxamide?
The canonical SMILES for N,N-diethyl-4-[2-(4-methoxyphenoxy)acetyl]piperazine-1-carboxamide is CCN(CC)C(=O)N1CCN(C(=O)COc2ccc(OC)cc2)CC1.
What is the InChIKey of N,N-diethyl-4-[2-(4-methoxyphenoxy)acetyl]piperazine-1-carboxamide?
The InChIKey is KJZXGMADWZLAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4/c1-4-19(5-2)18(23)21-12-10-20(11-13-21)17(22)14-25-16-8-6-15(24-3)7-9-16/h6-9H,4-5,10-14H2,1-3H3.
What are the key properties of N,N-diethyl-4-[2-(4-methoxyphenoxy)acetyl]piperazine-1-carboxamide?
N,N-diethyl-4-[2-(4-methoxyphenoxy)acetyl]piperazine-1-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 1.68, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[2-(4-methoxyphenoxy)acetyl]piperazine-1-carboxamide is sourced from PubChem (CID 110365995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).