ethyl 1-[4-(phenylcarbamoylamino)benzoyl]piperidine-3-carboxylate

C22H25N3O4 — CID 51250741

IUPACethyl 1-[4-(phenylcarbamoylamino)benzoyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)C1
InChIInChI=1S/C22H25N3O4/c1-2-29-21(27)17-7-6-14-25(15-17)20(26)16-10-12-19(13-11-16)24-22(28)23-18-8-4-3-5-9-18/h3-5,8-13,17H,2,6-7,14-15H2,1H3,(H2,23,24,28)
InChIKeyMFPVILTZBKHROL-UHFFFAOYSA-N
MW395.46 g/mol
LogP3.75
Rot. Bonds5

About ethyl 1-[4-(phenylcarbamoylamino)benzoyl]piperidine-3-carboxylate

ethyl 1-[4-(phenylcarbamoylamino)benzoyl]piperidine-3-carboxylate (PubChem CID 51250741) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is ethyl 1-[4-(phenylcarbamoylamino)benzoyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[4-(phenylcarbamoylamino)benzoyl]piperidine-3-carboxylate
PubChem CID51250741
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Nameethyl 1-[4-(phenylcarbamoylamino)benzoyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)C1
InChIInChI=1S/C22H25N3O4/c1-2-29-21(27)17-7-6-14-25(15-17)20(26)16-10-12-19(13-11-16)24-22(28)23-18-8-4-3-5-9-18/h3-5,8-13,17H,2,6-7,14-15H2,1H3,(H2,23,24,28)
InChIKeyMFPVILTZBKHROL-UHFFFAOYSA-N
XLogP3.75
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (3S)-1-[4-(phenoxycarbonylamino)benzoyl]piperidine-3-carboxylate
CID 156780894
ethyl (3R)-1-(4-benzoylbenzoyl)piperidine-3-carboxylate
CID 30283825
ethyl 1-[4-(2-ethylbutanoylamino)benzoyl]piperidine-3-carboxylate
CID 17309221
ethyl 1-[4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]piperidine-3-carboxylate
CID 46612194
ethyl (3S)-1-(naphthalene-2-carbonyl)piperidine-3-carboxylate
CID 26710230
ethyl 1-(4-tert-butylbenzoyl)piperidine-3-carboxylate
CID 3436669
ethyl (3R)-1-[4-(hydroxymethyl)benzoyl]piperidine-3-carboxylate
CID 115538788
ethyl (3R)-1-(pyridine-4-carbonyl)piperidine-3-carboxylate
CID 81344217
ethyl (3S)-1-(4-pyrrol-1-ylbenzoyl)piperidine-3-carboxylate
CID 51925940
ethyl 1-[3-(cyclopropanecarbonylamino)benzoyl]piperidine-3-carboxylate
CID 47005233
ethyl (3R)-1-(4-propan-2-ylbenzoyl)piperidine-3-carboxylate
CID 2385973
propyl 1-benzoylpiperidine-3-carboxylate
CID 57315331

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[4-(phenylcarbamoylamino)benzoyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[4-(phenylcarbamoylamino)benzoyl]piperidine-3-carboxylate (CID 51250741) is ethyl 1-[4-(phenylcarbamoylamino)benzoyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[4-(phenylcarbamoylamino)benzoyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[4-(phenylcarbamoylamino)benzoyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)C1.
What is the InChIKey of ethyl 1-[4-(phenylcarbamoylamino)benzoyl]piperidine-3-carboxylate?
The InChIKey is MFPVILTZBKHROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-2-29-21(27)17-7-6-14-25(15-17)20(26)16-10-12-19(13-11-16)24-22(28)23-18-8-4-3-5-9-18/h3-5,8-13,17H,2,6-7,14-15H2,1H3,(H2,23,24,28).
What are the key properties of ethyl 1-[4-(phenylcarbamoylamino)benzoyl]piperidine-3-carboxylate?
ethyl 1-[4-(phenylcarbamoylamino)benzoyl]piperidine-3-carboxylate has a molecular weight of 395.46 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[4-(phenylcarbamoylamino)benzoyl]piperidine-3-carboxylate is sourced from PubChem (CID 51250741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).