1-[4-(phenoxycarbonylamino)benzoyl]piperidine-3-carboxylic acid

C20H20N2O5 — CID 156780927

IUPAC1-[4-(phenoxycarbonylamino)benzoyl]piperidine-3-carboxylic acid
SMILESO=C(Nc1ccc(C(=O)N2CCCC(C(=O)O)C2)cc1)Oc1ccccc1
InChIInChI=1S/C20H20N2O5/c23-18(22-12-4-5-15(13-22)19(24)25)14-8-10-16(11-9-14)21-20(26)27-17-6-2-1-3-7-17/h1-3,6-11,15H,4-5,12-13H2,(H,21,26)(H,24,25)
InChIKeyRHJNZGHQUZZLLO-UHFFFAOYSA-N
MW368.39 g/mol
LogP3.23
Rot. Bonds4

About 1-[4-(phenoxycarbonylamino)benzoyl]piperidine-3-carboxylic acid

1-[4-(phenoxycarbonylamino)benzoyl]piperidine-3-carboxylic acid (PubChem CID 156780927) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is 1-[4-(phenoxycarbonylamino)benzoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[4-(phenoxycarbonylamino)benzoyl]piperidine-3-carboxylic acid
PubChem CID156780927
Molecular FormulaC20H20N2O5
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Name1-[4-(phenoxycarbonylamino)benzoyl]piperidine-3-carboxylic acid
SMILESO=C(Nc1ccc(C(=O)N2CCCC(C(=O)O)C2)cc1)Oc1ccccc1
InChIInChI=1S/C20H20N2O5/c23-18(22-12-4-5-15(13-22)19(24)25)14-8-10-16(11-9-14)21-20(26)27-17-6-2-1-3-7-17/h1-3,6-11,15H,4-5,12-13H2,(H,21,26)(H,24,25)
InChIKeyRHJNZGHQUZZLLO-UHFFFAOYSA-N
XLogP3.23
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

phenyl N-[4-(piperidine-1-carbonyl)phenyl]carbamate
CID 154636920
ethyl (3S)-1-[4-(phenoxycarbonylamino)benzoyl]piperidine-3-carboxylate
CID 156780894
phenyl N-[4-(cyclopropanecarbonyl)phenyl]carbamate
CID 110425242
(3S)-1-(4-methylbenzoyl)piperidine-3-carboxylic acid
CID 42257342
ethyl 1-[4-(phenylcarbamoylamino)benzoyl]piperidine-3-carboxylate
CID 51250741
1-(4-phenoxybenzoyl)piperidine-3-carboxamide
CID 18159127
(3S)-1-(4-chlorobenzoyl)-N-(4-phenylphenyl)piperidine-3-carboxamide
CID 2542955
1-[4-(cyclopropylmethoxy)benzoyl]piperidine-3-carboxylic acid
CID 119167329
(3S)-1-benzoylpyrrolidine-3-carboxylic acid
CID 92614961
(3R)-1-[4-[[(3S)-5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl]amino]benzoyl]piperidine-3-carboxylic acid
CID 94830820
1-(4-cyanobenzoyl)-N-phenylpiperidine-3-carboxamide
CID 46657993
1-[4-(aminomethyl)benzoyl]piperidine-3-carboxylic acid
CID 61157537

Frequently Asked Questions

What is the IUPAC name of 1-[4-(phenoxycarbonylamino)benzoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[4-(phenoxycarbonylamino)benzoyl]piperidine-3-carboxylic acid (CID 156780927) is 1-[4-(phenoxycarbonylamino)benzoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[4-(phenoxycarbonylamino)benzoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[4-(phenoxycarbonylamino)benzoyl]piperidine-3-carboxylic acid is O=C(Nc1ccc(C(=O)N2CCCC(C(=O)O)C2)cc1)Oc1ccccc1.
What is the InChIKey of 1-[4-(phenoxycarbonylamino)benzoyl]piperidine-3-carboxylic acid?
The InChIKey is RHJNZGHQUZZLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5/c23-18(22-12-4-5-15(13-22)19(24)25)14-8-10-16(11-9-14)21-20(26)27-17-6-2-1-3-7-17/h1-3,6-11,15H,4-5,12-13H2,(H,21,26)(H,24,25).
What are the key properties of 1-[4-(phenoxycarbonylamino)benzoyl]piperidine-3-carboxylic acid?
1-[4-(phenoxycarbonylamino)benzoyl]piperidine-3-carboxylic acid has a molecular weight of 368.39 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(phenoxycarbonylamino)benzoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 156780927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).