ethyl 4-[(2-pyrrolidin-3-ylbenzoyl)amino]piperidine-1-carboxylate

C19H27N3O3 — CID 56893622

IUPACethyl 4-[(2-pyrrolidin-3-ylbenzoyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2ccccc2C2CCNC2)CC1
InChIInChI=1S/C19H27N3O3/c1-2-25-19(24)22-11-8-15(9-12-22)21-18(23)17-6-4-3-5-16(17)14-7-10-20-13-14/h3-6,14-15,20H,2,7-13H2,1H3,(H,21,23)
InChIKeyABBXOUKGYLHBGY-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.11
Rot. Bonds4

About ethyl 4-[(2-pyrrolidin-3-ylbenzoyl)amino]piperidine-1-carboxylate

ethyl 4-[(2-pyrrolidin-3-ylbenzoyl)amino]piperidine-1-carboxylate (PubChem CID 56893622) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is ethyl 4-[(2-pyrrolidin-3-ylbenzoyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(2-pyrrolidin-3-ylbenzoyl)amino]piperidine-1-carboxylate
PubChem CID56893622
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Nameethyl 4-[(2-pyrrolidin-3-ylbenzoyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2ccccc2C2CCNC2)CC1
InChIInChI=1S/C19H27N3O3/c1-2-25-19(24)22-11-8-15(9-12-22)21-18(23)17-6-4-3-5-16(17)14-7-10-20-13-14/h3-6,14-15,20H,2,7-13H2,1H3,(H,21,23)
InChIKeyABBXOUKGYLHBGY-UHFFFAOYSA-N
XLogP2.11
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[[2-(aminomethyl)benzoyl]amino]piperidine-1-carboxylate
CID 110451816
ethyl 4-benzamidopiperidine-1-carboxylate
CID 18120666
ethyl 4-[[2-(difluoromethylsulfanyl)benzoyl]amino]piperidine-1-carboxylate
CID 24644251
ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 24644255
ethyl 4-[(2-amino-3-fluorobenzoyl)amino]piperidine-1-carboxylate
CID 110451817
ethyl 4-[[2-(4-bromobenzoyl)benzoyl]amino]piperidine-1-carboxylate
CID 36884910
ethyl 4-[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]piperidine-1-carboxylate
CID 46491359
ethyl 4-[[1-(3-methylphenyl)-5-piperidin-4-ylpyrazole-4-carbonyl]amino]piperidine-1-carboxylate
CID 46280231
ethyl 4-[(2-piperidin-4-yl-1,3-thiazole-4-carbonyl)amino]piperidine-1-carboxylate
CID 5091991
ethyl 4-[[2-[(4-chlorophenyl)methoxy]benzoyl]amino]piperidine-1-carboxylate
CID 43010715
butyl 4-[(2-fluorobenzoyl)amino]piperidine-1-carboxylate
CID 108559345
ethyl 4-[[1-(2,4-difluorophenyl)-5-piperidin-4-ylpyrazole-4-carbonyl]amino]piperidine-1-carboxylate
CID 155901037

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-pyrrolidin-3-ylbenzoyl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(2-pyrrolidin-3-ylbenzoyl)amino]piperidine-1-carboxylate (CID 56893622) is ethyl 4-[(2-pyrrolidin-3-ylbenzoyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(2-pyrrolidin-3-ylbenzoyl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(2-pyrrolidin-3-ylbenzoyl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)c2ccccc2C2CCNC2)CC1.
What is the InChIKey of ethyl 4-[(2-pyrrolidin-3-ylbenzoyl)amino]piperidine-1-carboxylate?
The InChIKey is ABBXOUKGYLHBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-2-25-19(24)22-11-8-15(9-12-22)21-18(23)17-6-4-3-5-16(17)14-7-10-20-13-14/h3-6,14-15,20H,2,7-13H2,1H3,(H,21,23).
What are the key properties of ethyl 4-[(2-pyrrolidin-3-ylbenzoyl)amino]piperidine-1-carboxylate?
ethyl 4-[(2-pyrrolidin-3-ylbenzoyl)amino]piperidine-1-carboxylate has a molecular weight of 345.44 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-pyrrolidin-3-ylbenzoyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 56893622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).