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

C24H32N2O2 — CID 31134180

IUPACethyl 4-(2-phenylethyl)-1-[(2S)-1-pyridin-3-ylpropan-2-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1(CCc2ccccc2)CCN([C@@H](C)Cc2cccnc2)CC1
InChIInChI=1S/C24H32N2O2/c1-3-28-23(27)24(12-11-21-8-5-4-6-9-21)13-16-26(17-14-24)20(2)18-22-10-7-15-25-19-22/h4-10,15,19-20H,3,11-14,16-18H2,1-2H3/t20-/m0/s1
InChIKeyNTOAAHCDTIBVRJ-FQEVSTJZSA-N
MW380.53 g/mol
LogP4.29
Rot. Bonds8

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

ethyl 4-(2-phenylethyl)-1-[(2S)-1-pyridin-3-ylpropan-2-yl]piperidine-4-carboxylate (PubChem CID 31134180) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is ethyl 4-(2-phenylethyl)-1-[(2S)-1-pyridin-3-ylpropan-2-yl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-phenylethyl)-1-[(2S)-1-pyridin-3-ylpropan-2-yl]piperidine-4-carboxylate
PubChem CID31134180
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC Nameethyl 4-(2-phenylethyl)-1-[(2S)-1-pyridin-3-ylpropan-2-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1(CCc2ccccc2)CCN([C@@H](C)Cc2cccnc2)CC1
InChIInChI=1S/C24H32N2O2/c1-3-28-23(27)24(12-11-21-8-5-4-6-9-21)13-16-26(17-14-24)20(2)18-22-10-7-15-25-19-22/h4-10,15,19-20H,3,11-14,16-18H2,1-2H3/t20-/m0/s1
InChIKeyNTOAAHCDTIBVRJ-FQEVSTJZSA-N
XLogP4.29
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(2-phenoxyethyl)-1-[(2S)-1-pyridin-3-ylpropan-2-yl]piperidine-4-carboxylate
CID 42516933
ethyl 4-(cyclopropylmethyl)-1-(1-pyridin-3-ylpropan-2-yl)piperidine-4-carboxylate
CID 45232556
ethyl 1-cyclobutyl-4-(2-phenylethyl)piperidine-4-carboxylate
CID 26333828
ethyl 3-(2-phenylethyl)-1-(pyrazine-2-carbonyl)piperidine-3-carboxylate
CID 45241974
ethyl 1-(naphthalen-2-ylmethyl)-4-(2-phenylethyl)piperidine-4-carboxylate
CID 10024006
ethyl 1-(oxolane-3-carbonyl)-4-(2-phenylethyl)piperidine-4-carboxylate
CID 45190006
ethyl 3-(2-phenoxyethyl)-1-(pyridin-3-ylmethyl)piperidine-3-carboxylate
CID 45229594
ethyl 1-[(4-methoxycarbonylphenyl)methyl]-4-(2-phenylethyl)piperidine-4-carboxylate
CID 23724015
ethyl 4-(3-phenylpropyl)-1-[(3S)-1-propan-2-ylpiperidine-3-carbonyl]piperidine-4-carboxylate
CID 25487830
diethyl 2-(1-pyridin-3-ylpropan-2-yl)propanedioate
CID 67382967
ethyl (3S)-3-(2-phenylethyl)-1-(pyridin-2-ylmethyl)piperidine-3-carboxylate
CID 42291340
ethyl 3-(3-phenylpropyl)-1-(pyrazine-2-carbonyl)piperidine-3-carboxylate
CID 45241636

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-phenylethyl)-1-[(2S)-1-pyridin-3-ylpropan-2-yl]piperidine-4-carboxylate?
The IUPAC name of ethyl 4-(2-phenylethyl)-1-[(2S)-1-pyridin-3-ylpropan-2-yl]piperidine-4-carboxylate (CID 31134180) is ethyl 4-(2-phenylethyl)-1-[(2S)-1-pyridin-3-ylpropan-2-yl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 4-(2-phenylethyl)-1-[(2S)-1-pyridin-3-ylpropan-2-yl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 4-(2-phenylethyl)-1-[(2S)-1-pyridin-3-ylpropan-2-yl]piperidine-4-carboxylate is CCOC(=O)C1(CCc2ccccc2)CCN([C@@H](C)Cc2cccnc2)CC1.
What is the InChIKey of ethyl 4-(2-phenylethyl)-1-[(2S)-1-pyridin-3-ylpropan-2-yl]piperidine-4-carboxylate?
The InChIKey is NTOAAHCDTIBVRJ-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-3-28-23(27)24(12-11-21-8-5-4-6-9-21)13-16-26(17-14-24)20(2)18-22-10-7-15-25-19-22/h4-10,15,19-20H,3,11-14,16-18H2,1-2H3/t20-/m0/s1.
What are the key properties of ethyl 4-(2-phenylethyl)-1-[(2S)-1-pyridin-3-ylpropan-2-yl]piperidine-4-carboxylate?
ethyl 4-(2-phenylethyl)-1-[(2S)-1-pyridin-3-ylpropan-2-yl]piperidine-4-carboxylate has a molecular weight of 380.53 g/mol, XLogP of 4.29, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-phenylethyl)-1-[(2S)-1-pyridin-3-ylpropan-2-yl]piperidine-4-carboxylate is sourced from PubChem (CID 31134180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).