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

C18H24N2O — CID 134481119

IUPAC(4S)-4-[[(1S,2R)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]piperidin-2-one
SMILESCC/C(=C\c1ccccc1)[C@H]1C[C@@H]1N[C@H]1CCNC(=O)C1
InChIInChI=1S/C18H24N2O/c1-2-14(10-13-6-4-3-5-7-13)16-12-17(16)20-15-8-9-19-18(21)11-15/h3-7,10,15-17,20H,2,8-9,11-12H2,1H3,(H,19,21)/b14-10+/t15-,16+,17-/m0/s1
InChIKeyVPEBWAIWTLDBCH-MHHBOCFLSA-N
MW284.40 g/mol
LogP2.74
Rot. Bonds5

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

(4S)-4-[[(1S,2R)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]piperidin-2-one (PubChem CID 134481119) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is (4S)-4-[[(1S,2R)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]piperidin-2-one.

Molecular Properties

Compound Name(4S)-4-[[(1S,2R)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]piperidin-2-one
PubChem CID134481119
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name(4S)-4-[[(1S,2R)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]piperidin-2-one
SMILESCC/C(=C\c1ccccc1)[C@H]1C[C@@H]1N[C@H]1CCNC(=O)C1
InChIInChI=1S/C18H24N2O/c1-2-14(10-13-6-4-3-5-7-13)16-12-17(16)20-15-8-9-19-18(21)11-15/h3-7,10,15-17,20H,2,8-9,11-12H2,1H3,(H,19,21)/b14-10+/t15-,16+,17-/m0/s1
InChIKeyVPEBWAIWTLDBCH-MHHBOCFLSA-N
XLogP2.74
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[[(1S,2R)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]piperidin-2-one?
The IUPAC name of (4S)-4-[[(1S,2R)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]piperidin-2-one (CID 134481119) is (4S)-4-[[(1S,2R)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]piperidin-2-one.
What is the SMILES notation for (4S)-4-[[(1S,2R)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]piperidin-2-one?
The canonical SMILES for (4S)-4-[[(1S,2R)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]piperidin-2-one is CC/C(=C\c1ccccc1)[C@H]1C[C@@H]1N[C@H]1CCNC(=O)C1.
What is the InChIKey of (4S)-4-[[(1S,2R)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]piperidin-2-one?
The InChIKey is VPEBWAIWTLDBCH-MHHBOCFLSA-N. The full InChI is InChI=1S/C18H24N2O/c1-2-14(10-13-6-4-3-5-7-13)16-12-17(16)20-15-8-9-19-18(21)11-15/h3-7,10,15-17,20H,2,8-9,11-12H2,1H3,(H,19,21)/b14-10+/t15-,16+,17-/m0/s1.
What are the key properties of (4S)-4-[[(1S,2R)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]piperidin-2-one?
(4S)-4-[[(1S,2R)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]piperidin-2-one has a molecular weight of 284.40 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[[(1S,2R)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]piperidin-2-one is sourced from PubChem (CID 134481119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).