2-[3-[[4-(4-methylpiperidine-1-carbonyl)phenyl]carbamoyl]phenoxy]acetic acid

C22H24N2O5 — CID 119182217

IUPAC2-[3-[[4-(4-methylpiperidine-1-carbonyl)phenyl]carbamoyl]phenoxy]acetic acid
SMILESCC1CCN(C(=O)c2ccc(NC(=O)c3cccc(OCC(=O)O)c3)cc2)CC1
InChIInChI=1S/C22H24N2O5/c1-15-9-11-24(12-10-15)22(28)16-5-7-18(8-6-16)23-21(27)17-3-2-4-19(13-17)29-14-20(25)26/h2-8,13,15H,9-12,14H2,1H3,(H,23,27)(H,25,26)
InChIKeyDSYMMCMQBJQNMI-UHFFFAOYSA-N
MW396.44 g/mol
LogP3.27
Rot. Bonds6

About 2-[3-[[4-(4-methylpiperidine-1-carbonyl)phenyl]carbamoyl]phenoxy]acetic acid

2-[3-[[4-(4-methylpiperidine-1-carbonyl)phenyl]carbamoyl]phenoxy]acetic acid (PubChem CID 119182217) has the molecular formula C22H24N2O5 and a molecular weight of 396.44 g/mol. Its IUPAC name is 2-[3-[[4-(4-methylpiperidine-1-carbonyl)phenyl]carbamoyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[[4-(4-methylpiperidine-1-carbonyl)phenyl]carbamoyl]phenoxy]acetic acid
PubChem CID119182217
Molecular FormulaC22H24N2O5
Molecular Weight396.44 g/mol
Exact Mass396.17
IUPAC Name2-[3-[[4-(4-methylpiperidine-1-carbonyl)phenyl]carbamoyl]phenoxy]acetic acid
SMILESCC1CCN(C(=O)c2ccc(NC(=O)c3cccc(OCC(=O)O)c3)cc2)CC1
InChIInChI=1S/C22H24N2O5/c1-15-9-11-24(12-10-15)22(28)16-5-7-18(8-6-16)23-21(27)17-3-2-4-19(13-17)29-14-20(25)26/h2-8,13,15H,9-12,14H2,1H3,(H,23,27)(H,25,26)
InChIKeyDSYMMCMQBJQNMI-UHFFFAOYSA-N
XLogP3.27
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-butoxy-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 17179701
3-(3-methylbutoxy)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 17179710
3-ethoxy-N-[[4-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]benzamide
CID 17179847
3-ethoxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 17196395
2-(3-ethoxyanilino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54826455
3-(4-methylpiperidine-1-carbonyl)-N-(4-propan-2-yloxyphenyl)benzamide
CID 109052369
2-[3-[(1-benzoylpiperidine-4-carbonyl)amino]phenoxy]acetic acid
CID 119224819
2-[4-(4-methylpiperidine-1-carbonyl)anilino]-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54830898
2-[3-[(4-fluorophenyl)carbamoyl]phenoxy]acetic acid
CID 28762936
N-[3-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 4019473
3-methyl-N-[4-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]phenyl]benzamide
CID 54843132
N-[4-(4-methylpiperidin-1-yl)phenyl]-3-(2-methylpropoxy)benzamide
CID 21229720

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[4-(4-methylpiperidine-1-carbonyl)phenyl]carbamoyl]phenoxy]acetic acid?
The IUPAC name of 2-[3-[[4-(4-methylpiperidine-1-carbonyl)phenyl]carbamoyl]phenoxy]acetic acid (CID 119182217) is 2-[3-[[4-(4-methylpiperidine-1-carbonyl)phenyl]carbamoyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[[4-(4-methylpiperidine-1-carbonyl)phenyl]carbamoyl]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[[4-(4-methylpiperidine-1-carbonyl)phenyl]carbamoyl]phenoxy]acetic acid is CC1CCN(C(=O)c2ccc(NC(=O)c3cccc(OCC(=O)O)c3)cc2)CC1.
What is the InChIKey of 2-[3-[[4-(4-methylpiperidine-1-carbonyl)phenyl]carbamoyl]phenoxy]acetic acid?
The InChIKey is DSYMMCMQBJQNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O5/c1-15-9-11-24(12-10-15)22(28)16-5-7-18(8-6-16)23-21(27)17-3-2-4-19(13-17)29-14-20(25)26/h2-8,13,15H,9-12,14H2,1H3,(H,23,27)(H,25,26).
What are the key properties of 2-[3-[[4-(4-methylpiperidine-1-carbonyl)phenyl]carbamoyl]phenoxy]acetic acid?
2-[3-[[4-(4-methylpiperidine-1-carbonyl)phenyl]carbamoyl]phenoxy]acetic acid has a molecular weight of 396.44 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[4-(4-methylpiperidine-1-carbonyl)phenyl]carbamoyl]phenoxy]acetic acid is sourced from PubChem (CID 119182217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).