ethyl 1-[(4-methoxyphenyl)carbamoyl]-4-(oxan-2-ylmethyl)piperidine-4-carboxylate

C22H32N2O5 — CID 45200318

IUPACethyl 1-[(4-methoxyphenyl)carbamoyl]-4-(oxan-2-ylmethyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1(CC2CCCCO2)CCN(C(=O)Nc2ccc(OC)cc2)CC1
InChIInChI=1S/C22H32N2O5/c1-3-28-20(25)22(16-19-6-4-5-15-29-19)11-13-24(14-12-22)21(26)23-17-7-9-18(27-2)10-8-17/h7-10,19H,3-6,11-16H2,1-2H3,(H,23,26)
InChIKeyBGMBYMADJXTAGY-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.83
Rot. Bonds6

About ethyl 1-[(4-methoxyphenyl)carbamoyl]-4-(oxan-2-ylmethyl)piperidine-4-carboxylate

ethyl 1-[(4-methoxyphenyl)carbamoyl]-4-(oxan-2-ylmethyl)piperidine-4-carboxylate (PubChem CID 45200318) has the molecular formula C22H32N2O5 and a molecular weight of 404.51 g/mol. Its IUPAC name is ethyl 1-[(4-methoxyphenyl)carbamoyl]-4-(oxan-2-ylmethyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(4-methoxyphenyl)carbamoyl]-4-(oxan-2-ylmethyl)piperidine-4-carboxylate
PubChem CID45200318
Molecular FormulaC22H32N2O5
Molecular Weight404.51 g/mol
Exact Mass404.23
IUPAC Nameethyl 1-[(4-methoxyphenyl)carbamoyl]-4-(oxan-2-ylmethyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1(CC2CCCCO2)CCN(C(=O)Nc2ccc(OC)cc2)CC1
InChIInChI=1S/C22H32N2O5/c1-3-28-20(25)22(16-19-6-4-5-15-29-19)11-13-24(14-12-22)21(26)23-17-7-9-18(27-2)10-8-17/h7-10,19H,3-6,11-16H2,1-2H3,(H,23,26)
InChIKeyBGMBYMADJXTAGY-UHFFFAOYSA-N
XLogP3.83
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[[(2R)-oxan-2-yl]methyl]-1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 42117656
ethyl 1-[(2-methoxycarbonylphenyl)carbamoyl]-4-(oxan-2-ylmethyl)piperidine-4-carboxylate
CID 45241326
ethyl 1-[(5-chloro-2-methoxyphenyl)carbamoyl]-4-[[(2S)-oxan-2-yl]methyl]piperidine-4-carboxylate
CID 25293826
ethyl 4-[[(2R)-oxan-2-yl]methyl]-1-(2-phenylethyl)piperidine-4-carboxylate
CID 25447850
ethyl 4-[(4-methoxyphenyl)methyl]-1-[(2S)-oxolane-2-carbonyl]piperidine-4-carboxylate
CID 25298390
ethyl 1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetyl]-4-[[(2S)-oxan-2-yl]methyl]piperidine-4-carboxylate
CID 42460174
ethyl 4-[[(2R)-oxan-2-yl]methyl]-1-(3-prop-2-enoxybenzoyl)piperidine-4-carboxylate
CID 42459916
N-(4-fluorophenyl)-4-(hydroxymethyl)-4-(oxan-2-ylmethyl)piperidine-1-carboxamide
CID 45205523
N-(4-ethoxyphenyl)-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113105474
ethyl 1-(1H-indol-2-ylmethyl)-4-[[(2R)-oxan-2-yl]methyl]piperidine-4-carboxylate
CID 25299071
4-(hydroxymethyl)-4-[[(2R)-oxan-2-yl]methyl]-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 95218387
N-(4-methoxyphenyl)-4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazine-1-carboxamide
CID 122336884

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(4-methoxyphenyl)carbamoyl]-4-(oxan-2-ylmethyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[(4-methoxyphenyl)carbamoyl]-4-(oxan-2-ylmethyl)piperidine-4-carboxylate (CID 45200318) is ethyl 1-[(4-methoxyphenyl)carbamoyl]-4-(oxan-2-ylmethyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[(4-methoxyphenyl)carbamoyl]-4-(oxan-2-ylmethyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[(4-methoxyphenyl)carbamoyl]-4-(oxan-2-ylmethyl)piperidine-4-carboxylate is CCOC(=O)C1(CC2CCCCO2)CCN(C(=O)Nc2ccc(OC)cc2)CC1.
What is the InChIKey of ethyl 1-[(4-methoxyphenyl)carbamoyl]-4-(oxan-2-ylmethyl)piperidine-4-carboxylate?
The InChIKey is BGMBYMADJXTAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O5/c1-3-28-20(25)22(16-19-6-4-5-15-29-19)11-13-24(14-12-22)21(26)23-17-7-9-18(27-2)10-8-17/h7-10,19H,3-6,11-16H2,1-2H3,(H,23,26).
What are the key properties of ethyl 1-[(4-methoxyphenyl)carbamoyl]-4-(oxan-2-ylmethyl)piperidine-4-carboxylate?
ethyl 1-[(4-methoxyphenyl)carbamoyl]-4-(oxan-2-ylmethyl)piperidine-4-carboxylate has a molecular weight of 404.51 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(4-methoxyphenyl)carbamoyl]-4-(oxan-2-ylmethyl)piperidine-4-carboxylate is sourced from PubChem (CID 45200318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).