ethyl 1-(benzhydrylcarbamoyl)piperidine-4-carboxylate

C22H26N2O3 — CID 108867399

IUPACethyl 1-(benzhydrylcarbamoyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)NC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C22H26N2O3/c1-2-27-21(25)19-13-15-24(16-14-19)22(26)23-20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-20H,2,13-16H2,1H3,(H,23,26)
InChIKeyOWBQEZDFZQYJCV-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.76
Rot. Bonds5

About ethyl 1-(benzhydrylcarbamoyl)piperidine-4-carboxylate

ethyl 1-(benzhydrylcarbamoyl)piperidine-4-carboxylate (PubChem CID 108867399) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is ethyl 1-(benzhydrylcarbamoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(benzhydrylcarbamoyl)piperidine-4-carboxylate
PubChem CID108867399
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Nameethyl 1-(benzhydrylcarbamoyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)NC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C22H26N2O3/c1-2-27-21(25)19-13-15-24(16-14-19)22(26)23-20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-20H,2,13-16H2,1H3,(H,23,26)
InChIKeyOWBQEZDFZQYJCV-UHFFFAOYSA-N
XLogP3.76
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-[[cyclopentyl(phenyl)methyl]carbamoyl]piperidine-4-carboxylate
CID 60551232
ethyl 4-(benzhydrylcarbamoyl)piperazine-1-carboxylate
CID 108867581
1-N-benzhydrylpiperidine-1,4-dicarboxamide
CID 108867553
ethyl 1-[[(2R)-4-phenylbutan-2-yl]carbamoyl]piperidine-4-carboxylate
CID 27534219
ethyl 1-[[1-(dimethylamino)-3-phenylpropan-2-yl]carbamoyl]piperidine-4-carboxylate
CID 60547124
ethyl 1-[2-[[(R)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]piperidine-4-carboxylate
CID 8718915
ethyl 1-[(4-phenylphenyl)carbamoyl]piperidine-4-carboxylate
CID 108867004
ethyl 1-[(2-hydroxyphenyl)carbamoyl]piperidine-4-carboxylate
CID 108871379
ethyl 1-(1-benzhydrylazetidine-3-carbonyl)piperidine-4-carboxylate
CID 29133609
ethyl 1-[1-(4-propan-2-ylphenoxy)ethylcarbamoyl]piperidine-4-carboxylate
CID 108880493
N-benzhydryl-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide
CID 24794972
ethyl 1-[1-(4-hydroxyphenyl)propan-2-ylcarbamoyl]piperidine-4-carboxylate
CID 60577832

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(benzhydrylcarbamoyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(benzhydrylcarbamoyl)piperidine-4-carboxylate (CID 108867399) is ethyl 1-(benzhydrylcarbamoyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(benzhydrylcarbamoyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(benzhydrylcarbamoyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)NC(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of ethyl 1-(benzhydrylcarbamoyl)piperidine-4-carboxylate?
The InChIKey is OWBQEZDFZQYJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-2-27-21(25)19-13-15-24(16-14-19)22(26)23-20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-20H,2,13-16H2,1H3,(H,23,26).
What are the key properties of ethyl 1-(benzhydrylcarbamoyl)piperidine-4-carboxylate?
ethyl 1-(benzhydrylcarbamoyl)piperidine-4-carboxylate has a molecular weight of 366.46 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(benzhydrylcarbamoyl)piperidine-4-carboxylate is sourced from PubChem (CID 108867399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).