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

C22H24N2O5 — CID 156780894

IUPACethyl (3S)-1-[4-(phenoxycarbonylamino)benzoyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@H]1CCCN(C(=O)c2ccc(NC(=O)Oc3ccccc3)cc2)C1
InChIInChI=1S/C22H24N2O5/c1-2-28-21(26)17-7-6-14-24(15-17)20(25)16-10-12-18(13-11-16)23-22(27)29-19-8-4-3-5-9-19/h3-5,8-13,17H,2,6-7,14-15H2,1H3,(H,23,27)/t17-/m0/s1
InChIKeyYRYQDMMRFBWAOB-KRWDZBQOSA-N
MW396.44 g/mol
LogP3.71
Rot. Bonds5

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

ethyl (3S)-1-[4-(phenoxycarbonylamino)benzoyl]piperidine-3-carboxylate (PubChem CID 156780894) has the molecular formula C22H24N2O5 and a molecular weight of 396.44 g/mol. Its IUPAC name is ethyl (3S)-1-[4-(phenoxycarbonylamino)benzoyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3S)-1-[4-(phenoxycarbonylamino)benzoyl]piperidine-3-carboxylate
PubChem CID156780894
Molecular FormulaC22H24N2O5
Molecular Weight396.44 g/mol
Exact Mass396.17
IUPAC Nameethyl (3S)-1-[4-(phenoxycarbonylamino)benzoyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@H]1CCCN(C(=O)c2ccc(NC(=O)Oc3ccccc3)cc2)C1
InChIInChI=1S/C22H24N2O5/c1-2-28-21(26)17-7-6-14-24(15-17)20(25)16-10-12-18(13-11-16)23-22(27)29-19-8-4-3-5-9-19/h3-5,8-13,17H,2,6-7,14-15H2,1H3,(H,23,27)/t17-/m0/s1
InChIKeyYRYQDMMRFBWAOB-KRWDZBQOSA-N
XLogP3.71
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl (3S)-1-[4-(phenoxycarbonylamino)benzoyl]piperidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 1-[4-(phenylcarbamoylamino)benzoyl]piperidine-3-carboxylate
CID 51250741
1-[4-(phenoxycarbonylamino)benzoyl]piperidine-3-carboxylic acid
CID 156780927
ethyl 1-[4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]piperidine-3-carboxylate
CID 46612194
ethyl (3R)-1-(4-benzoylbenzoyl)piperidine-3-carboxylate
CID 30283825
phenyl N-[4-(piperidine-1-carbonyl)phenyl]carbamate
CID 154636920
ethyl (3R)-1-(4-acetyloxybenzoyl)piperidine-3-carboxylate
CID 670738
ethyl 1-[4-(2-ethylbutanoylamino)benzoyl]piperidine-3-carboxylate
CID 17309221
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

Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-1-[4-(phenoxycarbonylamino)benzoyl]piperidine-3-carboxylate?
The IUPAC name of ethyl (3S)-1-[4-(phenoxycarbonylamino)benzoyl]piperidine-3-carboxylate (CID 156780894) is ethyl (3S)-1-[4-(phenoxycarbonylamino)benzoyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3S)-1-[4-(phenoxycarbonylamino)benzoyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl (3S)-1-[4-(phenoxycarbonylamino)benzoyl]piperidine-3-carboxylate is CCOC(=O)[C@H]1CCCN(C(=O)c2ccc(NC(=O)Oc3ccccc3)cc2)C1.
What is the InChIKey of ethyl (3S)-1-[4-(phenoxycarbonylamino)benzoyl]piperidine-3-carboxylate?
The InChIKey is YRYQDMMRFBWAOB-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H24N2O5/c1-2-28-21(26)17-7-6-14-24(15-17)20(25)16-10-12-18(13-11-16)23-22(27)29-19-8-4-3-5-9-19/h3-5,8-13,17H,2,6-7,14-15H2,1H3,(H,23,27)/t17-/m0/s1.
What are the key properties of ethyl (3S)-1-[4-(phenoxycarbonylamino)benzoyl]piperidine-3-carboxylate?
ethyl (3S)-1-[4-(phenoxycarbonylamino)benzoyl]piperidine-3-carboxylate has a molecular weight of 396.44 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S)-1-[4-(phenoxycarbonylamino)benzoyl]piperidine-3-carboxylate is sourced from PubChem (CID 156780894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).