(5S)-5-[[(1S,2R)-2-benzylcyclopentyl]amino]piperidin-2-one

C17H24N2O — CID 98869775

IUPAC(5S)-5-[[(1S,2R)-2-benzylcyclopentyl]amino]piperidin-2-one
SMILESO=C1CC[C@H](N[C@H]2CCC[C@@H]2Cc2ccccc2)CN1
InChIInChI=1S/C17H24N2O/c20-17-10-9-15(12-18-17)19-16-8-4-7-14(16)11-13-5-2-1-3-6-13/h1-3,5-6,14-16,19H,4,7-12H2,(H,18,20)/t14-,15+,16+/m1/s1
InChIKeyDAWWRANUBFSKMK-PMPSAXMXSA-N
MW272.39 g/mol
LogP2.27
Rot. Bonds4

About (5S)-5-[[(1S,2R)-2-benzylcyclopentyl]amino]piperidin-2-one

(5S)-5-[[(1S,2R)-2-benzylcyclopentyl]amino]piperidin-2-one (PubChem CID 98869775) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is (5S)-5-[[(1S,2R)-2-benzylcyclopentyl]amino]piperidin-2-one.

Molecular Properties

Compound Name(5S)-5-[[(1S,2R)-2-benzylcyclopentyl]amino]piperidin-2-one
PubChem CID98869775
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name(5S)-5-[[(1S,2R)-2-benzylcyclopentyl]amino]piperidin-2-one
SMILESO=C1CC[C@H](N[C@H]2CCC[C@@H]2Cc2ccccc2)CN1
InChIInChI=1S/C17H24N2O/c20-17-10-9-15(12-18-17)19-16-8-4-7-14(16)11-13-5-2-1-3-6-13/h1-3,5-6,14-16,19H,4,7-12H2,(H,18,20)/t14-,15+,16+/m1/s1
InChIKeyDAWWRANUBFSKMK-PMPSAXMXSA-N
XLogP2.27
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[[(1S,2R)-2-benzylcyclopentyl]amino]piperidin-2-one?
The IUPAC name of (5S)-5-[[(1S,2R)-2-benzylcyclopentyl]amino]piperidin-2-one (CID 98869775) is (5S)-5-[[(1S,2R)-2-benzylcyclopentyl]amino]piperidin-2-one.
What is the SMILES notation for (5S)-5-[[(1S,2R)-2-benzylcyclopentyl]amino]piperidin-2-one?
The canonical SMILES for (5S)-5-[[(1S,2R)-2-benzylcyclopentyl]amino]piperidin-2-one is O=C1CC[C@H](N[C@H]2CCC[C@@H]2Cc2ccccc2)CN1.
What is the InChIKey of (5S)-5-[[(1S,2R)-2-benzylcyclopentyl]amino]piperidin-2-one?
The InChIKey is DAWWRANUBFSKMK-PMPSAXMXSA-N. The full InChI is InChI=1S/C17H24N2O/c20-17-10-9-15(12-18-17)19-16-8-4-7-14(16)11-13-5-2-1-3-6-13/h1-3,5-6,14-16,19H,4,7-12H2,(H,18,20)/t14-,15+,16+/m1/s1.
What are the key properties of (5S)-5-[[(1S,2R)-2-benzylcyclopentyl]amino]piperidin-2-one?
(5S)-5-[[(1S,2R)-2-benzylcyclopentyl]amino]piperidin-2-one has a molecular weight of 272.39 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[[(1S,2R)-2-benzylcyclopentyl]amino]piperidin-2-one is sourced from PubChem (CID 98869775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).