3-(2-amino-2-oxoethyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide

C14H20N4O3 — CID 69348541

IUPAC3-(2-amino-2-oxoethyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCNC(CC(N)=O)C2)cc1
InChIInChI=1S/C14H20N4O3/c1-21-12-4-2-10(3-5-12)17-14(20)18-7-6-16-11(9-18)8-13(15)19/h2-5,11,16H,6-9H2,1H3,(H2,15,19)(H,17,20)
InChIKeyQCHQSOXWKMKFRR-UHFFFAOYSA-N
MW292.34 g/mol
LogP0.38
Rot. Bonds4

About 3-(2-amino-2-oxoethyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide

3-(2-amino-2-oxoethyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide (PubChem CID 69348541) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 3-(2-amino-2-oxoethyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name3-(2-amino-2-oxoethyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide
PubChem CID69348541
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name3-(2-amino-2-oxoethyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCNC(CC(N)=O)C2)cc1
InChIInChI=1S/C14H20N4O3/c1-21-12-4-2-10(3-5-12)17-14(20)18-7-6-16-11(9-18)8-13(15)19/h2-5,11,16H,6-9H2,1H3,(H2,15,19)(H,17,20)
InChIKeyQCHQSOXWKMKFRR-UHFFFAOYSA-N
XLogP0.38
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl formate;N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 174768397
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CID 16771863
2-(2-amino-2-oxoethyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 141003239
2-[1-[(4-methoxyphenyl)carbamoyl]azetidin-3-yl]acetic acid
CID 64618602
N-(4-methoxyphenyl)-1,6-diazacycloundecane-1-carboxamide
CID 144843106
4-(methoxymethyl)-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 121091713
3-(hydroxymethyl)-N-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 62372910
4-cyclopropyl-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 47455403
3-ethyl-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 47177019
N-(4-methoxyphenyl)-4-(2-oxo-2-piperidin-1-ylethyl)piperidine-1-carboxamide
CID 53057839
1-N-(4-methoxyphenyl)-4-N-methyl-1,4-diazepane-1,4-dicarboxamide
CID 23800038
N-(4-methoxyphenyl)-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide
CID 6470039

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-2-oxoethyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of 3-(2-amino-2-oxoethyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide (CID 69348541) is 3-(2-amino-2-oxoethyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 3-(2-amino-2-oxoethyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for 3-(2-amino-2-oxoethyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide is COc1ccc(NC(=O)N2CCNC(CC(N)=O)C2)cc1.
What is the InChIKey of 3-(2-amino-2-oxoethyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide?
The InChIKey is QCHQSOXWKMKFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-21-12-4-2-10(3-5-12)17-14(20)18-7-6-16-11(9-18)8-13(15)19/h2-5,11,16H,6-9H2,1H3,(H2,15,19)(H,17,20).
What are the key properties of 3-(2-amino-2-oxoethyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide?
3-(2-amino-2-oxoethyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide has a molecular weight of 292.34 g/mol, XLogP of 0.38, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-2-oxoethyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 69348541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).