ethyl 1-[(4-phenylmethoxyphenyl)carbamoyl]piperidine-4-carboxylate

C22H26N2O4 — CID 2813589

IUPACethyl 1-[(4-phenylmethoxyphenyl)carbamoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)Nc2ccc(OCc3ccccc3)cc2)CC1
InChIInChI=1S/C22H26N2O4/c1-2-27-21(25)18-12-14-24(15-13-18)22(26)23-19-8-10-20(11-9-19)28-16-17-6-4-3-5-7-17/h3-11,18H,2,12-16H2,1H3,(H,23,26)
InChIKeyDXECHHVLBPUDED-UHFFFAOYSA-N
MW382.46 g/mol
LogP4.07
Rot. Bonds6

About ethyl 1-[(4-phenylmethoxyphenyl)carbamoyl]piperidine-4-carboxylate

ethyl 1-[(4-phenylmethoxyphenyl)carbamoyl]piperidine-4-carboxylate (PubChem CID 2813589) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is ethyl 1-[(4-phenylmethoxyphenyl)carbamoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(4-phenylmethoxyphenyl)carbamoyl]piperidine-4-carboxylate
PubChem CID2813589
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Nameethyl 1-[(4-phenylmethoxyphenyl)carbamoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)Nc2ccc(OCc3ccccc3)cc2)CC1
InChIInChI=1S/C22H26N2O4/c1-2-27-21(25)18-12-14-24(15-13-18)22(26)23-19-8-10-20(11-9-19)28-16-17-6-4-3-5-7-17/h3-11,18H,2,12-16H2,1H3,(H,23,26)
InChIKeyDXECHHVLBPUDED-UHFFFAOYSA-N
XLogP4.07
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[4-(benzyloxy)phenyl]butanamide
CID 22692237
1-(4-(3-Morpholinopropoxy)phenyl)-3-phenylurea
CID 25014697
1-(4-(3-Morpholinopropoxy)phenyl)-3-(4-(trifluoromethyl)phenyl)urea
CID 25014776
1-(4-Phenoxyphenyl)-3-(1-propionylpiperidin-4-yl)urea
CID 49783004
[4-[(4-Phenylmethoxyphenyl)carbamoylamino]phenyl] sulfamate
CID 70692554
Ethyl 1-{[4-(trifluoromethoxy)anilino]carbonyl}-4-piperidinecarboxylate
CID 2813595
N-[3-(4-benzylpiperidin-1-yl)propyl]-N'-(4-methoxyphenyl)urea
CID 16193711
Urea, N-methoxy-N-methyl-N'-(4-(2-(4-methylphenyl)ethoxy)phenyl)-
CID 93385
1-(P-Anisyl)-3-benzylurea
CID 2822852
3-(P-Anisyl)-1,1-dibenzylurea
CID 3717527
methyl (2S)-2-amino-4-{[4-(benzyloxy)phenyl]carbamoyl}butanoate
CID 24901605
N-[4-(benzyloxy)phenyl]-4-(dimethylamino)butanamide
CID 24901610

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(4-phenylmethoxyphenyl)carbamoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[(4-phenylmethoxyphenyl)carbamoyl]piperidine-4-carboxylate (CID 2813589) is ethyl 1-[(4-phenylmethoxyphenyl)carbamoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[(4-phenylmethoxyphenyl)carbamoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[(4-phenylmethoxyphenyl)carbamoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)Nc2ccc(OCc3ccccc3)cc2)CC1.
What is the InChIKey of ethyl 1-[(4-phenylmethoxyphenyl)carbamoyl]piperidine-4-carboxylate?
The InChIKey is DXECHHVLBPUDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-2-27-21(25)18-12-14-24(15-13-18)22(26)23-19-8-10-20(11-9-19)28-16-17-6-4-3-5-7-17/h3-11,18H,2,12-16H2,1H3,(H,23,26).
What are the key properties of ethyl 1-[(4-phenylmethoxyphenyl)carbamoyl]piperidine-4-carboxylate?
ethyl 1-[(4-phenylmethoxyphenyl)carbamoyl]piperidine-4-carboxylate has a molecular weight of 382.46 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(4-phenylmethoxyphenyl)carbamoyl]piperidine-4-carboxylate is sourced from PubChem (CID 2813589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).