2-[1-(3-carbamoylphenyl)-6-[[4-(2-oxopiperidin-1-yl)phenyl]carbamoyl]piperidin-3-yl]oxyacetic acid

C26H30N4O6 — CID 10228430

IUPAC2-[1-(3-carbamoylphenyl)-6-[[4-(2-oxopiperidin-1-yl)phenyl]carbamoyl]piperidin-3-yl]oxyacetic acid
SMILESNC(=O)c1cccc(N2CC(OCC(=O)O)CCC2C(=O)Nc2ccc(N3CCCCC3=O)cc2)c1
InChIInChI=1S/C26H30N4O6/c27-25(34)17-4-3-5-20(14-17)30-15-21(36-16-24(32)33)11-12-22(30)26(35)28-18-7-9-19(10-8-18)29-13-2-1-6-23(29)31/h3-5,7-10,14,21-22H,1-2,6,11-13,15-16H2,(H2,27,34)(H,28,35)(H,32,33)
InChIKeyKFAOIPUGZAWKTH-UHFFFAOYSA-N
MW494.55 g/mol
LogP2.38
Rot. Bonds8

About 2-[1-(3-carbamoylphenyl)-6-[[4-(2-oxopiperidin-1-yl)phenyl]carbamoyl]piperidin-3-yl]oxyacetic acid

2-[1-(3-carbamoylphenyl)-6-[[4-(2-oxopiperidin-1-yl)phenyl]carbamoyl]piperidin-3-yl]oxyacetic acid (PubChem CID 10228430) has the molecular formula C26H30N4O6 and a molecular weight of 494.55 g/mol. Its IUPAC name is 2-[1-(3-carbamoylphenyl)-6-[[4-(2-oxopiperidin-1-yl)phenyl]carbamoyl]piperidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(3-carbamoylphenyl)-6-[[4-(2-oxopiperidin-1-yl)phenyl]carbamoyl]piperidin-3-yl]oxyacetic acid
PubChem CID10228430
Molecular FormulaC26H30N4O6
Molecular Weight494.55 g/mol
Exact Mass494.22
IUPAC Name2-[1-(3-carbamoylphenyl)-6-[[4-(2-oxopiperidin-1-yl)phenyl]carbamoyl]piperidin-3-yl]oxyacetic acid
SMILESNC(=O)c1cccc(N2CC(OCC(=O)O)CCC2C(=O)Nc2ccc(N3CCCCC3=O)cc2)c1
InChIInChI=1S/C26H30N4O6/c27-25(34)17-4-3-5-20(14-17)30-15-21(36-16-24(32)33)11-12-22(30)26(35)28-18-7-9-19(10-8-18)29-13-2-1-6-23(29)31/h3-5,7-10,14,21-22H,1-2,6,11-13,15-16H2,(H2,27,34)(H,28,35)(H,32,33)
InChIKeyKFAOIPUGZAWKTH-UHFFFAOYSA-N
XLogP2.38
TPSA142.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.55
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[1-(3-carbamoylphenyl)-6-[[4-(2-oxopiperidin-1-yl)phenyl]carbamoyl]piperidin-3-yl]oxyacetic acid with MolForge

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Related Compounds

3-[2-[[4-(2-oxopiperidin-1-yl)anilino]methyl]piperidin-1-yl]benzamide
CID 10294777
3-[2-[[4-(2-oxoazepan-1-yl)anilino]methyl]piperidin-1-yl]benzamide
CID 142170139
3-[(1S,2R)-2-[[4-(2-oxopiperidin-1-yl)phenyl]carbamoyl]cyclopentyl]benzamide
CID 12018193
3-[2-[[4-(2-oxopiperidin-1-yl)phenoxy]methyl]piperidin-1-yl]benzamide
CID 10201455
N-(4-carbamoylphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 35133090
3-[2-[[4-(2-oxopiperidin-1-yl)phenyl]carbamoyl]cyclopenten-1-yl]benzamide
CID 10272515
N-[4-(2-oxopyrrolidin-1-yl)phenyl]cyclopropanecarboxamide
CID 7686385
N-[3-(2-oxopiperidin-1-yl)phenyl]cyclopentanecarboxamide
CID 7687609
3-(2-oxopiperidin-1-yl)benzoic acid
CID 24689039
5-[3-(aminomethyl)phenyl]-1-methyl-N-[4-(2-oxopiperidin-1-yl)phenyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxamide
CID 10139326
5-[3-(aminomethyl)phenyl]-1-methyl-N-[4-(2-oxopiperidin-1-yl)phenyl]-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-6-carboxamide
CID 12018210
3-[[1-(2-fluorophenyl)-2-oxo-2-[4-(2-oxopiperidin-1-yl)anilino]ethyl]amino]benzamide
CID 69337383

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-carbamoylphenyl)-6-[[4-(2-oxopiperidin-1-yl)phenyl]carbamoyl]piperidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[1-(3-carbamoylphenyl)-6-[[4-(2-oxopiperidin-1-yl)phenyl]carbamoyl]piperidin-3-yl]oxyacetic acid (CID 10228430) is 2-[1-(3-carbamoylphenyl)-6-[[4-(2-oxopiperidin-1-yl)phenyl]carbamoyl]piperidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-(3-carbamoylphenyl)-6-[[4-(2-oxopiperidin-1-yl)phenyl]carbamoyl]piperidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[1-(3-carbamoylphenyl)-6-[[4-(2-oxopiperidin-1-yl)phenyl]carbamoyl]piperidin-3-yl]oxyacetic acid is NC(=O)c1cccc(N2CC(OCC(=O)O)CCC2C(=O)Nc2ccc(N3CCCCC3=O)cc2)c1.
What is the InChIKey of 2-[1-(3-carbamoylphenyl)-6-[[4-(2-oxopiperidin-1-yl)phenyl]carbamoyl]piperidin-3-yl]oxyacetic acid?
The InChIKey is KFAOIPUGZAWKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O6/c27-25(34)17-4-3-5-20(14-17)30-15-21(36-16-24(32)33)11-12-22(30)26(35)28-18-7-9-19(10-8-18)29-13-2-1-6-23(29)31/h3-5,7-10,14,21-22H,1-2,6,11-13,15-16H2,(H2,27,34)(H,28,35)(H,32,33).
What are the key properties of 2-[1-(3-carbamoylphenyl)-6-[[4-(2-oxopiperidin-1-yl)phenyl]carbamoyl]piperidin-3-yl]oxyacetic acid?
2-[1-(3-carbamoylphenyl)-6-[[4-(2-oxopiperidin-1-yl)phenyl]carbamoyl]piperidin-3-yl]oxyacetic acid has a molecular weight of 494.55 g/mol, XLogP of 2.38, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-carbamoylphenyl)-6-[[4-(2-oxopiperidin-1-yl)phenyl]carbamoyl]piperidin-3-yl]oxyacetic acid is sourced from PubChem (CID 10228430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).