(2R)-1-(4-aminopiperidin-1-yl)-2-cyclopentyl-2-hydroxy-2-phenylethanone

C18H26N2O2 — CID 15888011

IUPAC(2R)-1-(4-aminopiperidin-1-yl)-2-cyclopentyl-2-hydroxy-2-phenylethanone
SMILESNC1CCN(C(=O)[C@](O)(c2ccccc2)C2CCCC2)CC1
InChIInChI=1S/C18H26N2O2/c19-16-10-12-20(13-11-16)17(21)18(22,15-8-4-5-9-15)14-6-2-1-3-7-14/h1-3,6-7,15-16,22H,4-5,8-13,19H2/t18-/m0/s1
InChIKeyINNRKNITHWITSQ-SFHVURJKSA-N
MW302.42 g/mol
LogP2.01
Rot. Bonds3

About (2R)-1-(4-aminopiperidin-1-yl)-2-cyclopentyl-2-hydroxy-2-phenylethanone

(2R)-1-(4-aminopiperidin-1-yl)-2-cyclopentyl-2-hydroxy-2-phenylethanone (PubChem CID 15888011) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is (2R)-1-(4-aminopiperidin-1-yl)-2-cyclopentyl-2-hydroxy-2-phenylethanone.

Molecular Properties

Compound Name(2R)-1-(4-aminopiperidin-1-yl)-2-cyclopentyl-2-hydroxy-2-phenylethanone
PubChem CID15888011
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name(2R)-1-(4-aminopiperidin-1-yl)-2-cyclopentyl-2-hydroxy-2-phenylethanone
SMILESNC1CCN(C(=O)[C@](O)(c2ccccc2)C2CCCC2)CC1
InChIInChI=1S/C18H26N2O2/c19-16-10-12-20(13-11-16)17(21)18(22,15-8-4-5-9-15)14-6-2-1-3-7-14/h1-3,6-7,15-16,22H,4-5,8-13,19H2/t18-/m0/s1
InChIKeyINNRKNITHWITSQ-SFHVURJKSA-N
XLogP2.01
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-aminopiperidin-1-yl)-2-cyclopentyl-2-hydroxy-2-phenylethanone?
The IUPAC name of (2R)-1-(4-aminopiperidin-1-yl)-2-cyclopentyl-2-hydroxy-2-phenylethanone (CID 15888011) is (2R)-1-(4-aminopiperidin-1-yl)-2-cyclopentyl-2-hydroxy-2-phenylethanone.
What is the SMILES notation for (2R)-1-(4-aminopiperidin-1-yl)-2-cyclopentyl-2-hydroxy-2-phenylethanone?
The canonical SMILES for (2R)-1-(4-aminopiperidin-1-yl)-2-cyclopentyl-2-hydroxy-2-phenylethanone is NC1CCN(C(=O)[C@](O)(c2ccccc2)C2CCCC2)CC1.
What is the InChIKey of (2R)-1-(4-aminopiperidin-1-yl)-2-cyclopentyl-2-hydroxy-2-phenylethanone?
The InChIKey is INNRKNITHWITSQ-SFHVURJKSA-N. The full InChI is InChI=1S/C18H26N2O2/c19-16-10-12-20(13-11-16)17(21)18(22,15-8-4-5-9-15)14-6-2-1-3-7-14/h1-3,6-7,15-16,22H,4-5,8-13,19H2/t18-/m0/s1.
What are the key properties of (2R)-1-(4-aminopiperidin-1-yl)-2-cyclopentyl-2-hydroxy-2-phenylethanone?
(2R)-1-(4-aminopiperidin-1-yl)-2-cyclopentyl-2-hydroxy-2-phenylethanone has a molecular weight of 302.42 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-aminopiperidin-1-yl)-2-cyclopentyl-2-hydroxy-2-phenylethanone is sourced from PubChem (CID 15888011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).