ethyl N-[1-(2-phenylethyl)piperidin-4-yl]-N-pyridin-2-ylcarbamate

C21H27N3O2 — CID 21496451

IUPACethyl N-[1-(2-phenylethyl)piperidin-4-yl]-N-pyridin-2-ylcarbamate
SMILESCCOC(=O)N(c1ccccn1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C21H27N3O2/c1-2-26-21(25)24(20-10-6-7-14-22-20)19-12-16-23(17-13-19)15-11-18-8-4-3-5-9-18/h3-10,14,19H,2,11-13,15-17H2,1H3
InChIKeySZDCVFZQCKQUDI-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.75
Rot. Bonds6

About ethyl N-[1-(2-phenylethyl)piperidin-4-yl]-N-pyridin-2-ylcarbamate

ethyl N-[1-(2-phenylethyl)piperidin-4-yl]-N-pyridin-2-ylcarbamate (PubChem CID 21496451) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is ethyl N-[1-(2-phenylethyl)piperidin-4-yl]-N-pyridin-2-ylcarbamate.

Molecular Properties

Compound Nameethyl N-[1-(2-phenylethyl)piperidin-4-yl]-N-pyridin-2-ylcarbamate
PubChem CID21496451
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Nameethyl N-[1-(2-phenylethyl)piperidin-4-yl]-N-pyridin-2-ylcarbamate
SMILESCCOC(=O)N(c1ccccn1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C21H27N3O2/c1-2-26-21(25)24(20-10-6-7-14-22-20)19-12-16-23(17-13-19)15-11-18-8-4-3-5-9-18/h3-10,14,19H,2,11-13,15-17H2,1H3
InChIKeySZDCVFZQCKQUDI-UHFFFAOYSA-N
XLogP3.75
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-cyclopropyl-N-pyridin-2-ylcarbamate
CID 110723115
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 3345
ethane;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 160668171
N-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
CID 165365115
N-[1-(2-phenylethyl)piperidin-4-yl]-N-pyrimidin-2-ylfuran-2-carboxamide
CID 10429616
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide azide
CID 126650510
2-oxo-2-phenylmethoxyacetic acid;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 155024434
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide sulfate
CID 53341505
4-(N-ethoxycarbonylanilino)-1-(2-phenylethyl)piperidine-4-carboxylic acid
CID 70610544
but-2-enedioic acid;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 68613507
1,1-diethoxyethane;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 166758697
6-[cyclopropyl(ethoxycarbonyl)amino]pyridine-3-carboxylic acid
CID 115268274

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-(2-phenylethyl)piperidin-4-yl]-N-pyridin-2-ylcarbamate?
The IUPAC name of ethyl N-[1-(2-phenylethyl)piperidin-4-yl]-N-pyridin-2-ylcarbamate (CID 21496451) is ethyl N-[1-(2-phenylethyl)piperidin-4-yl]-N-pyridin-2-ylcarbamate.
What is the SMILES notation for ethyl N-[1-(2-phenylethyl)piperidin-4-yl]-N-pyridin-2-ylcarbamate?
The canonical SMILES for ethyl N-[1-(2-phenylethyl)piperidin-4-yl]-N-pyridin-2-ylcarbamate is CCOC(=O)N(c1ccccn1)C1CCN(CCc2ccccc2)CC1.
What is the InChIKey of ethyl N-[1-(2-phenylethyl)piperidin-4-yl]-N-pyridin-2-ylcarbamate?
The InChIKey is SZDCVFZQCKQUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-2-26-21(25)24(20-10-6-7-14-22-20)19-12-16-23(17-13-19)15-11-18-8-4-3-5-9-18/h3-10,14,19H,2,11-13,15-17H2,1H3.
What are the key properties of ethyl N-[1-(2-phenylethyl)piperidin-4-yl]-N-pyridin-2-ylcarbamate?
ethyl N-[1-(2-phenylethyl)piperidin-4-yl]-N-pyridin-2-ylcarbamate has a molecular weight of 353.47 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-(2-phenylethyl)piperidin-4-yl]-N-pyridin-2-ylcarbamate is sourced from PubChem (CID 21496451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).