ethyl 4-(2-phenoxyethyl)-1-[(2S)-1-pyridin-3-ylpropan-2-yl]piperidine-4-carboxylate

C24H32N2O3 — CID 42516933

IUPACethyl 4-(2-phenoxyethyl)-1-[(2S)-1-pyridin-3-ylpropan-2-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1(CCOc2ccccc2)CCN([C@@H](C)Cc2cccnc2)CC1
InChIInChI=1S/C24H32N2O3/c1-3-28-23(27)24(13-17-29-22-9-5-4-6-10-22)11-15-26(16-12-24)20(2)18-21-8-7-14-25-19-21/h4-10,14,19-20H,3,11-13,15-18H2,1-2H3/t20-/m0/s1
InChIKeyDHMZKLLRYASWTB-FQEVSTJZSA-N
MW396.53 g/mol
LogP4.13
Rot. Bonds9

About ethyl 4-(2-phenoxyethyl)-1-[(2S)-1-pyridin-3-ylpropan-2-yl]piperidine-4-carboxylate

ethyl 4-(2-phenoxyethyl)-1-[(2S)-1-pyridin-3-ylpropan-2-yl]piperidine-4-carboxylate (PubChem CID 42516933) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is ethyl 4-(2-phenoxyethyl)-1-[(2S)-1-pyridin-3-ylpropan-2-yl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-phenoxyethyl)-1-[(2S)-1-pyridin-3-ylpropan-2-yl]piperidine-4-carboxylate
PubChem CID42516933
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC Nameethyl 4-(2-phenoxyethyl)-1-[(2S)-1-pyridin-3-ylpropan-2-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1(CCOc2ccccc2)CCN([C@@H](C)Cc2cccnc2)CC1
InChIInChI=1S/C24H32N2O3/c1-3-28-23(27)24(13-17-29-22-9-5-4-6-10-22)11-15-26(16-12-24)20(2)18-21-8-7-14-25-19-21/h4-10,14,19-20H,3,11-13,15-18H2,1-2H3/t20-/m0/s1
InChIKeyDHMZKLLRYASWTB-FQEVSTJZSA-N
XLogP4.13
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 4-(2-phenoxyethyl)-1-[(2S)-1-pyridin-3-ylpropan-2-yl]piperidine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-(2-phenylethyl)-1-[(2S)-1-pyridin-3-ylpropan-2-yl]piperidine-4-carboxylate
CID 31134180
ethyl 4-(cyclopropylmethyl)-1-(1-pyridin-3-ylpropan-2-yl)piperidine-4-carboxylate
CID 45232556
ethyl 3-(2-phenoxyethyl)-1-(pyridin-3-ylmethyl)piperidine-3-carboxylate
CID 45229594
ethyl 4-(2-phenoxyethyl)-1-(3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carbonyl)piperidine-4-carboxylate
CID 45205081
(2S)-N-methyl-N-[2-(4-methylphenoxy)ethyl]-6-[(2R)-1-pyridin-3-ylpropan-2-yl]-6-azaspiro[2.5]octane-2-carboxamide
CID 26352299
N-methyl-N-[2-(4-methylphenoxy)ethyl]-6-(1-pyridin-3-ylpropan-2-yl)-6-azaspiro[2.5]octane-2-carboxamide
CID 45245731
ethyl 4-(2-phenoxyethyl)-1-[(1-phenylpyrazol-4-yl)methyl]piperidine-4-carboxylate
CID 25454150
ethyl 1-(oxan-4-yl)-4-(2-phenoxyethyl)piperidine-4-carboxylate
CID 42120534
ethyl (3R)-3-(2-phenoxyethyl)-1-(pyrazine-2-carbonyl)piperidine-3-carboxylate
CID 42212234
ethyl 1-[(3-chloro-4-methoxyphenyl)methyl]-4-(2-phenoxyethyl)piperidine-4-carboxylate
CID 70701251
ethyl 1-(5-methylthiophen-2-yl)sulfonyl-4-(2-phenoxyethyl)piperidine-4-carboxylate
CID 26410876
ethyl 1-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-4-(2-phenoxyethyl)piperidine-4-carboxylate
CID 42382034

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-phenoxyethyl)-1-[(2S)-1-pyridin-3-ylpropan-2-yl]piperidine-4-carboxylate?
The IUPAC name of ethyl 4-(2-phenoxyethyl)-1-[(2S)-1-pyridin-3-ylpropan-2-yl]piperidine-4-carboxylate (CID 42516933) is ethyl 4-(2-phenoxyethyl)-1-[(2S)-1-pyridin-3-ylpropan-2-yl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 4-(2-phenoxyethyl)-1-[(2S)-1-pyridin-3-ylpropan-2-yl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 4-(2-phenoxyethyl)-1-[(2S)-1-pyridin-3-ylpropan-2-yl]piperidine-4-carboxylate is CCOC(=O)C1(CCOc2ccccc2)CCN([C@@H](C)Cc2cccnc2)CC1.
What is the InChIKey of ethyl 4-(2-phenoxyethyl)-1-[(2S)-1-pyridin-3-ylpropan-2-yl]piperidine-4-carboxylate?
The InChIKey is DHMZKLLRYASWTB-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H32N2O3/c1-3-28-23(27)24(13-17-29-22-9-5-4-6-10-22)11-15-26(16-12-24)20(2)18-21-8-7-14-25-19-21/h4-10,14,19-20H,3,11-13,15-18H2,1-2H3/t20-/m0/s1.
What are the key properties of ethyl 4-(2-phenoxyethyl)-1-[(2S)-1-pyridin-3-ylpropan-2-yl]piperidine-4-carboxylate?
ethyl 4-(2-phenoxyethyl)-1-[(2S)-1-pyridin-3-ylpropan-2-yl]piperidine-4-carboxylate has a molecular weight of 396.53 g/mol, XLogP of 4.13, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-phenoxyethyl)-1-[(2S)-1-pyridin-3-ylpropan-2-yl]piperidine-4-carboxylate is sourced from PubChem (CID 42516933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).