N-[3-(2-amino-2-oxoethoxy)phenyl]-2-piperazin-1-ylacetamide

C14H20N4O3 — CID 60851602

IUPACN-[3-(2-amino-2-oxoethoxy)phenyl]-2-piperazin-1-ylacetamide
SMILESNC(=O)COc1cccc(NC(=O)CN2CCNCC2)c1
InChIInChI=1S/C14H20N4O3/c15-13(19)10-21-12-3-1-2-11(8-12)17-14(20)9-18-6-4-16-5-7-18/h1-3,8,16H,4-7,9-10H2,(H2,15,19)(H,17,20)
InChIKeyVXAXCDSFXKUKIY-UHFFFAOYSA-N
MW292.34 g/mol
LogP-0.61
Rot. Bonds6

About N-[3-(2-amino-2-oxoethoxy)phenyl]-2-piperazin-1-ylacetamide

N-[3-(2-amino-2-oxoethoxy)phenyl]-2-piperazin-1-ylacetamide (PubChem CID 60851602) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is N-[3-(2-amino-2-oxoethoxy)phenyl]-2-piperazin-1-ylacetamide.

Molecular Properties

Compound NameN-[3-(2-amino-2-oxoethoxy)phenyl]-2-piperazin-1-ylacetamide
PubChem CID60851602
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC NameN-[3-(2-amino-2-oxoethoxy)phenyl]-2-piperazin-1-ylacetamide
SMILESNC(=O)COc1cccc(NC(=O)CN2CCNCC2)c1
InChIInChI=1S/C14H20N4O3/c15-13(19)10-21-12-3-1-2-11(8-12)17-14(20)9-18-6-4-16-5-7-18/h1-3,8,16H,4-7,9-10H2,(H2,15,19)(H,17,20)
InChIKeyVXAXCDSFXKUKIY-UHFFFAOYSA-N
XLogP-0.61
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-piperazin-1-yl-N-(3-propoxyphenyl)acetamide
CID 60851959
2-(1,4-diazepan-1-yl)-N-(3-ethoxyphenyl)acetamide
CID 62838844
N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(azetidin-3-yl)acetamide
CID 64618375
3-[[2-(1,4-diazepan-1-yl)acetyl]amino]benzamide
CID 62839609
N-[3-(2-amino-2-oxoethoxy)phenyl]-3-oxobutanamide
CID 61251264
N-[3-(dimethylamino)phenyl]-2-piperazin-1-ylacetamide
CID 115377065
2-(4-aminopiperidin-1-yl)-N-(3-propoxyphenyl)acetamide
CID 79322694
2-[3-[(2-piperazin-1-ylacetyl)amino]phenyl]acetic acid
CID 65350381
2-piperazin-1-yl-N-(3-propan-2-ylphenyl)acetamide
CID 29009163
2-[3-[(2-benzhydrylsulfanylacetyl)amino]phenoxy]acetamide
CID 24649946
2-(azepan-1-yl)-N-[3-(2-methoxyethoxy)phenyl]acetamide
CID 54814501
2-(1,4-diazepan-1-yl)-N-[3-(hydroxymethyl)phenyl]acetamide
CID 62838993

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-2-oxoethoxy)phenyl]-2-piperazin-1-ylacetamide?
The IUPAC name of N-[3-(2-amino-2-oxoethoxy)phenyl]-2-piperazin-1-ylacetamide (CID 60851602) is N-[3-(2-amino-2-oxoethoxy)phenyl]-2-piperazin-1-ylacetamide.
What is the SMILES notation for N-[3-(2-amino-2-oxoethoxy)phenyl]-2-piperazin-1-ylacetamide?
The canonical SMILES for N-[3-(2-amino-2-oxoethoxy)phenyl]-2-piperazin-1-ylacetamide is NC(=O)COc1cccc(NC(=O)CN2CCNCC2)c1.
What is the InChIKey of N-[3-(2-amino-2-oxoethoxy)phenyl]-2-piperazin-1-ylacetamide?
The InChIKey is VXAXCDSFXKUKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c15-13(19)10-21-12-3-1-2-11(8-12)17-14(20)9-18-6-4-16-5-7-18/h1-3,8,16H,4-7,9-10H2,(H2,15,19)(H,17,20).
What are the key properties of N-[3-(2-amino-2-oxoethoxy)phenyl]-2-piperazin-1-ylacetamide?
N-[3-(2-amino-2-oxoethoxy)phenyl]-2-piperazin-1-ylacetamide has a molecular weight of 292.34 g/mol, XLogP of -0.61, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-2-oxoethoxy)phenyl]-2-piperazin-1-ylacetamide is sourced from PubChem (CID 60851602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).