4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]piperidin-2-one

C17H22N2O — CID 134481078

IUPAC4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]piperidin-2-one
SMILESC/C(=C\c1ccccc1)[C@@H]1C[C@H]1NC1CCNC(=O)C1
InChIInChI=1S/C17H22N2O/c1-12(9-13-5-3-2-4-6-13)15-11-16(15)19-14-7-8-18-17(20)10-14/h2-6,9,14-16,19H,7-8,10-11H2,1H3,(H,18,20)/b12-9+/t14?,15-,16+/m0/s1
InChIKeyDYCSAVIFWHCIDK-SSUZPHGLSA-N
MW270.38 g/mol
LogP2.35
Rot. Bonds4

About 4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]piperidin-2-one

4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]piperidin-2-one (PubChem CID 134481078) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]piperidin-2-one.

Molecular Properties

Compound Name4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]piperidin-2-one
PubChem CID134481078
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]piperidin-2-one
SMILESC/C(=C\c1ccccc1)[C@@H]1C[C@H]1NC1CCNC(=O)C1
InChIInChI=1S/C17H22N2O/c1-12(9-13-5-3-2-4-6-13)15-11-16(15)19-14-7-8-18-17(20)10-14/h2-6,9,14-16,19H,7-8,10-11H2,1H3,(H,18,20)/b12-9+/t14?,15-,16+/m0/s1
InChIKeyDYCSAVIFWHCIDK-SSUZPHGLSA-N
XLogP2.35
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]piperidin-2-one?
The IUPAC name of 4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]piperidin-2-one (CID 134481078) is 4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]piperidin-2-one.
What is the SMILES notation for 4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]piperidin-2-one?
The canonical SMILES for 4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]piperidin-2-one is C/C(=C\c1ccccc1)[C@@H]1C[C@H]1NC1CCNC(=O)C1.
What is the InChIKey of 4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]piperidin-2-one?
The InChIKey is DYCSAVIFWHCIDK-SSUZPHGLSA-N. The full InChI is InChI=1S/C17H22N2O/c1-12(9-13-5-3-2-4-6-13)15-11-16(15)19-14-7-8-18-17(20)10-14/h2-6,9,14-16,19H,7-8,10-11H2,1H3,(H,18,20)/b12-9+/t14?,15-,16+/m0/s1.
What are the key properties of 4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]piperidin-2-one?
4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]piperidin-2-one has a molecular weight of 270.38 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]piperidin-2-one is sourced from PubChem (CID 134481078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).