N-[3-(2-amino-2-oxoethoxy)phenyl]-6-oxopiperidine-3-carboxamide

C14H17N3O4 — CID 112728765

IUPACN-[3-(2-amino-2-oxoethoxy)phenyl]-6-oxopiperidine-3-carboxamide
SMILESNC(=O)COc1cccc(NC(=O)C2CCC(=O)NC2)c1
InChIInChI=1S/C14H17N3O4/c15-12(18)8-21-11-3-1-2-10(6-11)17-14(20)9-4-5-13(19)16-7-9/h1-3,6,9H,4-5,7-8H2,(H2,15,18)(H,16,19)(H,17,20)
InChIKeyGEDXKFICNCYXIJ-UHFFFAOYSA-N
MW291.31 g/mol
LogP0.02
Rot. Bonds5

About N-[3-(2-amino-2-oxoethoxy)phenyl]-6-oxopiperidine-3-carboxamide

N-[3-(2-amino-2-oxoethoxy)phenyl]-6-oxopiperidine-3-carboxamide (PubChem CID 112728765) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is N-[3-(2-amino-2-oxoethoxy)phenyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2-amino-2-oxoethoxy)phenyl]-6-oxopiperidine-3-carboxamide
PubChem CID112728765
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC NameN-[3-(2-amino-2-oxoethoxy)phenyl]-6-oxopiperidine-3-carboxamide
SMILESNC(=O)COc1cccc(NC(=O)C2CCC(=O)NC2)c1
InChIInChI=1S/C14H17N3O4/c15-12(18)8-21-11-3-1-2-10(6-11)17-14(20)9-4-5-13(19)16-7-9/h1-3,6,9H,4-5,7-8H2,(H2,15,18)(H,16,19)(H,17,20)
InChIKeyGEDXKFICNCYXIJ-UHFFFAOYSA-N
XLogP0.02
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[3-[(5-oxopyrrolidine-3-carbonyl)amino]phenoxy]acetate
CID 78982577
4-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclohexane-1-carboxamide
CID 60849251
2-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclohexane-1-carboxamide
CID 64824522
N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(azetidin-3-yl)acetamide
CID 64618375
3-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119702079
N-[3-(2-amino-2-oxoethoxy)phenyl]-3-methylpiperidine-2-carboxamide
CID 107067417
N-(3,4-difluorophenyl)-6-oxopiperidine-3-carboxamide
CID 78594911
2-[3-(dicyclopropylmethylamino)phenoxy]acetamide
CID 43720251
methyl 2-[3-(cyclopropanecarbonylamino)phenoxy]acetate
CID 47170141
N-[3-(2-amino-2-oxoethoxy)phenyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 43054004
2-[3-(thiane-4-carbonylamino)phenoxy]acetic acid
CID 120523516
2-[3-(cyclopropylmethylamino)phenoxy]acetamide
CID 43720269

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-2-oxoethoxy)phenyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-[3-(2-amino-2-oxoethoxy)phenyl]-6-oxopiperidine-3-carboxamide (CID 112728765) is N-[3-(2-amino-2-oxoethoxy)phenyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[3-(2-amino-2-oxoethoxy)phenyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[3-(2-amino-2-oxoethoxy)phenyl]-6-oxopiperidine-3-carboxamide is NC(=O)COc1cccc(NC(=O)C2CCC(=O)NC2)c1.
What is the InChIKey of N-[3-(2-amino-2-oxoethoxy)phenyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is GEDXKFICNCYXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c15-12(18)8-21-11-3-1-2-10(6-11)17-14(20)9-4-5-13(19)16-7-9/h1-3,6,9H,4-5,7-8H2,(H2,15,18)(H,16,19)(H,17,20).
What are the key properties of N-[3-(2-amino-2-oxoethoxy)phenyl]-6-oxopiperidine-3-carboxamide?
N-[3-(2-amino-2-oxoethoxy)phenyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 291.31 g/mol, XLogP of 0.02, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-2-oxoethoxy)phenyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 112728765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).