ethyl 1-[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]piperidine-4-carboxylate

C19H26N2O3 — CID 9046776

IUPACethyl 1-[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN([C@H](C(=O)NC2CC2)c2ccccc2)CC1
InChIInChI=1S/C19H26N2O3/c1-2-24-19(23)15-10-12-21(13-11-15)17(14-6-4-3-5-7-14)18(22)20-16-8-9-16/h3-7,15-17H,2,8-13H2,1H3,(H,20,22)/t17-/m0/s1
InChIKeyMHDIYMVCYYJHPI-KRWDZBQOSA-N
MW330.43 g/mol
LogP2.28
Rot. Bonds6

About ethyl 1-[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]piperidine-4-carboxylate

ethyl 1-[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]piperidine-4-carboxylate (PubChem CID 9046776) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is ethyl 1-[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]piperidine-4-carboxylate
PubChem CID9046776
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Nameethyl 1-[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN([C@H](C(=O)NC2CC2)c2ccccc2)CC1
InChIInChI=1S/C19H26N2O3/c1-2-24-19(23)15-10-12-21(13-11-15)17(14-6-4-3-5-7-14)18(22)20-16-8-9-16/h3-7,15-17H,2,8-13H2,1H3,(H,20,22)/t17-/m0/s1
InChIKeyMHDIYMVCYYJHPI-KRWDZBQOSA-N
XLogP2.28
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[(3-amino-2-phenylpropanoyl)amino]cyclohexane-1-carboxylate
CID 119738180
ethyl 4-[(3-amino-2-phenylpropanoyl)amino]cyclohexane-1-carboxylate;hydrochloride
CID 119738179
(2S)-N-cyclopropyl-2-(4-methylpiperazin-1-yl)-2-phenylacetamide
CID 9033055
(2S)-2-(4-acetylpiperazin-1-yl)-N-cyclopropyl-2-phenylacetamide
CID 9033825
ethyl 2-phenyl-2-(4-propan-2-ylpiperidin-1-yl)acetate
CID 106677310
2-(4-ethoxypiperidin-1-yl)-2-phenylacetohydrazide
CID 63572659
(2R)-N-cyclopropyl-2-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide
CID 94797745
(2S)-N-cyclopropyl-2-[4-(2-methylphenyl)piperazin-1-yl]-2-phenylacetamide
CID 9029671
(2R)-2-[1-[(1R)-2-amino-2-oxo-1-phenylethyl]piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide
CID 129489061
ethyl 4-[(2-amino-3-phenylpropanoyl)amino]cyclohexane-1-carboxylate
CID 119297434
ethyl 1-(benzhydrylcarbamoyl)piperidine-4-carboxylate
CID 108867399
2-phenyl-2-(4-propan-2-ylpiperidin-1-yl)acetohydrazide
CID 103503815

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]piperidine-4-carboxylate (CID 9046776) is ethyl 1-[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]piperidine-4-carboxylate is CCOC(=O)C1CCN([C@H](C(=O)NC2CC2)c2ccccc2)CC1.
What is the InChIKey of ethyl 1-[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]piperidine-4-carboxylate?
The InChIKey is MHDIYMVCYYJHPI-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-2-24-19(23)15-10-12-21(13-11-15)17(14-6-4-3-5-7-14)18(22)20-16-8-9-16/h3-7,15-17H,2,8-13H2,1H3,(H,20,22)/t17-/m0/s1.
What are the key properties of ethyl 1-[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]piperidine-4-carboxylate?
ethyl 1-[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]piperidine-4-carboxylate has a molecular weight of 330.43 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]piperidine-4-carboxylate is sourced from PubChem (CID 9046776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).