ethyl 4-benzamido-1-benzylpiperidine-4-carboxylate

C22H26N2O3 — CID 3044661

IUPACethyl 4-benzamido-1-benzylpiperidine-4-carboxylate
SMILESCCOC(=O)C1(NC(=O)c2ccccc2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H26N2O3/c1-2-27-21(26)22(23-20(25)19-11-7-4-8-12-19)13-15-24(16-14-22)17-18-9-5-3-6-10-18/h3-12H,2,13-17H2,1H3,(H,23,25)
InChIKeyOFAPPWLBKLIMDL-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.01
Rot. Bonds6

About ethyl 4-benzamido-1-benzylpiperidine-4-carboxylate

ethyl 4-benzamido-1-benzylpiperidine-4-carboxylate (PubChem CID 3044661) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is ethyl 4-benzamido-1-benzylpiperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 4-benzamido-1-benzylpiperidine-4-carboxylate
PubChem CID3044661
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Nameethyl 4-benzamido-1-benzylpiperidine-4-carboxylate
SMILESCCOC(=O)C1(NC(=O)c2ccccc2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H26N2O3/c1-2-27-21(26)22(23-20(25)19-11-7-4-8-12-19)13-15-24(16-14-22)17-18-9-5-3-6-10-18/h3-12H,2,13-17H2,1H3,(H,23,25)
InChIKeyOFAPPWLBKLIMDL-UHFFFAOYSA-N
XLogP3.01
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-benzyl-3-(propylamino)pyrrolidine-3-carboxylate
CID 60796783
ethyl 1-benzyl-4-ethylsulfonylpiperidine-4-carboxylate
CID 99997104
ethyl 1-benzyl-3-(prop-2-enylamino)pyrrolidine-3-carboxylate
CID 62353874
ethyl 1-benzyl-3-[2-(diethylamino)ethylamino]pyrrolidine-3-carboxylate
CID 113225276
ethyl 4-(methylamino)-1-(2-phenylethyl)piperidine-4-carboxylate
CID 60791020
ethyl 1-benzyl-3-ethylpyrrolidine-3-carboxylate
CID 59511336
ethyl 1-benzyl-4-[hydroxy(methoxy)methyl]piperidine-4-carboxylate
CID 163783877
ethyl 4-anilino-1-ethylpiperidine-4-carboxylate
CID 60992582
methyl 4-amino-1-benzylpiperidine-4-carboxylate
CID 3044632
ethyl 1-benzyl-4-cyclohexylpiperidine-4-carboxylate
CID 177342640
ethyl 3-[benzoyl(methyl)amino]-1-benzylpyrrolidine-3-carboxylate
CID 22359901
ethyl 1-[(4-methoxycarbonylphenyl)methyl]-4-(2-phenylethyl)piperidine-4-carboxylate
CID 23724015

Frequently Asked Questions

What is the IUPAC name of ethyl 4-benzamido-1-benzylpiperidine-4-carboxylate?
The IUPAC name of ethyl 4-benzamido-1-benzylpiperidine-4-carboxylate (CID 3044661) is ethyl 4-benzamido-1-benzylpiperidine-4-carboxylate.
What is the SMILES notation for ethyl 4-benzamido-1-benzylpiperidine-4-carboxylate?
The canonical SMILES for ethyl 4-benzamido-1-benzylpiperidine-4-carboxylate is CCOC(=O)C1(NC(=O)c2ccccc2)CCN(Cc2ccccc2)CC1.
What is the InChIKey of ethyl 4-benzamido-1-benzylpiperidine-4-carboxylate?
The InChIKey is OFAPPWLBKLIMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-2-27-21(26)22(23-20(25)19-11-7-4-8-12-19)13-15-24(16-14-22)17-18-9-5-3-6-10-18/h3-12H,2,13-17H2,1H3,(H,23,25).
What are the key properties of ethyl 4-benzamido-1-benzylpiperidine-4-carboxylate?
ethyl 4-benzamido-1-benzylpiperidine-4-carboxylate has a molecular weight of 366.46 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-benzamido-1-benzylpiperidine-4-carboxylate is sourced from PubChem (CID 3044661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).