ethyl 1-[3-(cyclopropanecarbonylamino)benzoyl]piperidine-3-carboxylate

C19H24N2O4 — CID 47005233

IUPACethyl 1-[3-(cyclopropanecarbonylamino)benzoyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2cccc(NC(=O)C3CC3)c2)C1
InChIInChI=1S/C19H24N2O4/c1-2-25-19(24)15-6-4-10-21(12-15)18(23)14-5-3-7-16(11-14)20-17(22)13-8-9-13/h3,5,7,11,13,15H,2,4,6,8-10,12H2,1H3,(H,20,22)
InChIKeyRCNUFHKBZUVHGN-UHFFFAOYSA-N
MW344.41 g/mol
LogP2.45
Rot. Bonds5

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

ethyl 1-[3-(cyclopropanecarbonylamino)benzoyl]piperidine-3-carboxylate (PubChem CID 47005233) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is ethyl 1-[3-(cyclopropanecarbonylamino)benzoyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-(cyclopropanecarbonylamino)benzoyl]piperidine-3-carboxylate
PubChem CID47005233
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Nameethyl 1-[3-(cyclopropanecarbonylamino)benzoyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2cccc(NC(=O)C3CC3)c2)C1
InChIInChI=1S/C19H24N2O4/c1-2-25-19(24)15-6-4-10-21(12-15)18(23)14-5-3-7-16(11-14)20-17(22)13-8-9-13/h3,5,7,11,13,15H,2,4,6,8-10,12H2,1H3,(H,20,22)
InChIKeyRCNUFHKBZUVHGN-UHFFFAOYSA-N
XLogP2.45
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 1-[3-(cyclopropanecarbonylamino)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 (3S)-1-[3-(methanesulfonamido)benzoyl]piperidine-3-carboxylate
CID 31469286
N-[3-(3-methylpiperidine-1-carbonyl)phenyl]cyclopropanecarboxamide
CID 51149495
ethyl 3-[[1-(furan-3-carbonyl)piperidine-3-carbonyl]amino]benzoate
CID 46604295
ethyl (3R)-1-(3-nitrobenzoyl)piperidine-3-carboxylate
CID 7037159
N-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]cyclobutanecarboxamide
CID 110930987
ethyl 1-[4-(phenylcarbamoylamino)benzoyl]piperidine-3-carboxylate
CID 51250741
1-[3-(carbamoylamino)benzoyl]-N-methylpiperidine-3-carboxamide
CID 119128282
ethyl 1-[3-(diethylsulfamoyl)benzoyl]piperidine-3-carboxylate
CID 46684274
ethyl (3S)-1-(naphthalene-2-carbonyl)piperidine-3-carboxylate
CID 26710230
ethyl 1-(3-chlorosulfonylbenzoyl)piperidine-3-carboxylate
CID 110823502
ethyl 3-[[1-(2-fluorobenzoyl)piperidine-3-carbonyl]amino]benzoate
CID 50804505
ethyl (3S)-1-[(3-methylphenyl)carbamothioyl]piperidine-3-carboxylate
CID 7943280

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-(cyclopropanecarbonylamino)benzoyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[3-(cyclopropanecarbonylamino)benzoyl]piperidine-3-carboxylate (CID 47005233) is ethyl 1-[3-(cyclopropanecarbonylamino)benzoyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[3-(cyclopropanecarbonylamino)benzoyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[3-(cyclopropanecarbonylamino)benzoyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)c2cccc(NC(=O)C3CC3)c2)C1.
What is the InChIKey of ethyl 1-[3-(cyclopropanecarbonylamino)benzoyl]piperidine-3-carboxylate?
The InChIKey is RCNUFHKBZUVHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-2-25-19(24)15-6-4-10-21(12-15)18(23)14-5-3-7-16(11-14)20-17(22)13-8-9-13/h3,5,7,11,13,15H,2,4,6,8-10,12H2,1H3,(H,20,22).
What are the key properties of ethyl 1-[3-(cyclopropanecarbonylamino)benzoyl]piperidine-3-carboxylate?
ethyl 1-[3-(cyclopropanecarbonylamino)benzoyl]piperidine-3-carboxylate has a molecular weight of 344.41 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-(cyclopropanecarbonylamino)benzoyl]piperidine-3-carboxylate is sourced from PubChem (CID 47005233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).