N-ethyl-4-[2-[(3-methoxyphenyl)methyl-methylamino]-2-oxoethyl]piperazine-1-carboxamide

C18H28N4O3 — CID 78827369

IUPACN-ethyl-4-[2-[(3-methoxyphenyl)methyl-methylamino]-2-oxoethyl]piperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(CC(=O)N(C)Cc2cccc(OC)c2)CC1
InChIInChI=1S/C18H28N4O3/c1-4-19-18(24)22-10-8-21(9-11-22)14-17(23)20(2)13-15-6-5-7-16(12-15)25-3/h5-7,12H,4,8-11,13-14H2,1-3H3,(H,19,24)
InChIKeyUROHOYVAYHNRKY-UHFFFAOYSA-N
MW348.45 g/mol
LogP1.00
Rot. Bonds6

About N-ethyl-4-[2-[(3-methoxyphenyl)methyl-methylamino]-2-oxoethyl]piperazine-1-carboxamide

N-ethyl-4-[2-[(3-methoxyphenyl)methyl-methylamino]-2-oxoethyl]piperazine-1-carboxamide (PubChem CID 78827369) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-ethyl-4-[2-[(3-methoxyphenyl)methyl-methylamino]-2-oxoethyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-[2-[(3-methoxyphenyl)methyl-methylamino]-2-oxoethyl]piperazine-1-carboxamide
PubChem CID78827369
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC NameN-ethyl-4-[2-[(3-methoxyphenyl)methyl-methylamino]-2-oxoethyl]piperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(CC(=O)N(C)Cc2cccc(OC)c2)CC1
InChIInChI=1S/C18H28N4O3/c1-4-19-18(24)22-10-8-21(9-11-22)14-17(23)20(2)13-15-6-5-7-16(12-15)25-3/h5-7,12H,4,8-11,13-14H2,1-3H3,(H,19,24)
InChIKeyUROHOYVAYHNRKY-UHFFFAOYSA-N
XLogP1.00
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methoxyphenyl)methyl]-N-methyl-2-[4-(propan-2-ylamino)piperidin-1-yl]acetamide
CID 56569893
4-[2-[bis[(3-methoxyphenyl)methyl]amino]-2-oxoethyl]piperazine-1-carboxylic acid
CID 175572183
N-[(3-methoxyphenyl)methyl]-N-methyl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide
CID 134058368
2-[4-[2-[(3-methoxyphenyl)methyl-methylamino]-2-oxoethyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 55476132
tert-butyl N-[[1-[2-[(3-methoxyphenyl)methyl-methylamino]-2-oxoethyl]piperidin-4-yl]methyl]carbamate
CID 56571118
1-[2-[(3-methoxyphenyl)methyl-methylamino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 119904141
2-[(4R)-1-[2-[(3-methoxyphenyl)methyl-methylamino]-2-oxoethyl]azepan-4-yl]acetic acid
CID 129489300
2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 55353772
4-benzyl-N-[(3-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 27517759
3-ethyl-1-[(3-methoxyphenyl)methyl]-1-methylthiourea
CID 8768028
N-[(3-methoxyphenyl)methyl]-N-methyl-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
CID 86972335
4-[3-(3-methoxyphenyl)propyl]-N-propylpiperazine-1-carboxamide
CID 110358269

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[2-[(3-methoxyphenyl)methyl-methylamino]-2-oxoethyl]piperazine-1-carboxamide?
The IUPAC name of N-ethyl-4-[2-[(3-methoxyphenyl)methyl-methylamino]-2-oxoethyl]piperazine-1-carboxamide (CID 78827369) is N-ethyl-4-[2-[(3-methoxyphenyl)methyl-methylamino]-2-oxoethyl]piperazine-1-carboxamide.
What is the SMILES notation for N-ethyl-4-[2-[(3-methoxyphenyl)methyl-methylamino]-2-oxoethyl]piperazine-1-carboxamide?
The canonical SMILES for N-ethyl-4-[2-[(3-methoxyphenyl)methyl-methylamino]-2-oxoethyl]piperazine-1-carboxamide is CCNC(=O)N1CCN(CC(=O)N(C)Cc2cccc(OC)c2)CC1.
What is the InChIKey of N-ethyl-4-[2-[(3-methoxyphenyl)methyl-methylamino]-2-oxoethyl]piperazine-1-carboxamide?
The InChIKey is UROHOYVAYHNRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-4-19-18(24)22-10-8-21(9-11-22)14-17(23)20(2)13-15-6-5-7-16(12-15)25-3/h5-7,12H,4,8-11,13-14H2,1-3H3,(H,19,24).
What are the key properties of N-ethyl-4-[2-[(3-methoxyphenyl)methyl-methylamino]-2-oxoethyl]piperazine-1-carboxamide?
N-ethyl-4-[2-[(3-methoxyphenyl)methyl-methylamino]-2-oxoethyl]piperazine-1-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 1.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[2-[(3-methoxyphenyl)methyl-methylamino]-2-oxoethyl]piperazine-1-carboxamide is sourced from PubChem (CID 78827369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).