4-[4-(phenylmethoxycarbonylamino)phenoxy]piperidine-1-carboxylic acid

C20H22N2O5 — CID 18536514

IUPAC4-[4-(phenylmethoxycarbonylamino)phenoxy]piperidine-1-carboxylic acid
SMILESO=C(Nc1ccc(OC2CCN(C(=O)O)CC2)cc1)OCc1ccccc1
InChIInChI=1S/C20H22N2O5/c23-19(26-14-15-4-2-1-3-5-15)21-16-6-8-17(9-7-16)27-18-10-12-22(13-11-18)20(24)25/h1-9,18H,10-14H2,(H,21,23)(H,24,25)
InChIKeyKGVXEBLYROJANH-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.96
Rot. Bonds5

About 4-[4-(phenylmethoxycarbonylamino)phenoxy]piperidine-1-carboxylic acid

4-[4-(phenylmethoxycarbonylamino)phenoxy]piperidine-1-carboxylic acid (PubChem CID 18536514) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is 4-[4-(phenylmethoxycarbonylamino)phenoxy]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[4-(phenylmethoxycarbonylamino)phenoxy]piperidine-1-carboxylic acid
PubChem CID18536514
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Name4-[4-(phenylmethoxycarbonylamino)phenoxy]piperidine-1-carboxylic acid
SMILESO=C(Nc1ccc(OC2CCN(C(=O)O)CC2)cc1)OCc1ccccc1
InChIInChI=1S/C20H22N2O5/c23-19(26-14-15-4-2-1-3-5-15)21-16-6-8-17(9-7-16)27-18-10-12-22(13-11-18)20(24)25/h1-9,18H,10-14H2,(H,21,23)(H,24,25)
InChIKeyKGVXEBLYROJANH-UHFFFAOYSA-N
XLogP3.96
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]phenoxy]pyrrolidine-1-carboxylic acid
CID 90301797
benzyl 4-[4-(aminomethyl)phenoxy]piperidine-1-carboxylate
CID 134822051
[4-(phenylmethoxycarbonylamino)phenyl] cyclopropanecarboxylate
CID 67154778
benzyl N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]carbamate
CID 112502827
benzyl N-[4-(trifluoromethoxy)phenyl]carbamate
CID 134102882
2-hydroxyethyl N-(4-cyclopentyloxyphenyl)carbamate
CID 79346417
benzyl N-[4-(4-methoxyphenyl)phenyl]carbamate
CID 102104858
4-naphthalen-2-yloxypiperidine-1-carboxylic acid
CID 18423340
2-[4-[4-(1-acetylpiperidin-4-yl)oxyphenoxy]phenyl]-N-phenylacetamide
CID 141019781
4-[[6-(2-phenylmethoxyethylamino)-3-pyridinyl]oxy]piperidine-1-carboxylic acid
CID 129278172
benzyl N-(4-prop-2-enoxyphenyl)carbamate
CID 4952532
benzyl N-[4-(chlorooxymethyl)phenyl]carbamate
CID 70641351

Frequently Asked Questions

What is the IUPAC name of 4-[4-(phenylmethoxycarbonylamino)phenoxy]piperidine-1-carboxylic acid?
The IUPAC name of 4-[4-(phenylmethoxycarbonylamino)phenoxy]piperidine-1-carboxylic acid (CID 18536514) is 4-[4-(phenylmethoxycarbonylamino)phenoxy]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[4-(phenylmethoxycarbonylamino)phenoxy]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[4-(phenylmethoxycarbonylamino)phenoxy]piperidine-1-carboxylic acid is O=C(Nc1ccc(OC2CCN(C(=O)O)CC2)cc1)OCc1ccccc1.
What is the InChIKey of 4-[4-(phenylmethoxycarbonylamino)phenoxy]piperidine-1-carboxylic acid?
The InChIKey is KGVXEBLYROJANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c23-19(26-14-15-4-2-1-3-5-15)21-16-6-8-17(9-7-16)27-18-10-12-22(13-11-18)20(24)25/h1-9,18H,10-14H2,(H,21,23)(H,24,25).
What are the key properties of 4-[4-(phenylmethoxycarbonylamino)phenoxy]piperidine-1-carboxylic acid?
4-[4-(phenylmethoxycarbonylamino)phenoxy]piperidine-1-carboxylic acid has a molecular weight of 370.41 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(phenylmethoxycarbonylamino)phenoxy]piperidine-1-carboxylic acid is sourced from PubChem (CID 18536514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).