(2S)-2-amino-1-(4-cyclopentyloxypiperidin-1-yl)propan-1-one

C13H24N2O2 — CID 119312938

IUPAC(2S)-2-amino-1-(4-cyclopentyloxypiperidin-1-yl)propan-1-one
SMILESC[C@H](N)C(=O)N1CCC(OC2CCCC2)CC1
InChIInChI=1S/C13H24N2O2/c1-10(14)13(16)15-8-6-12(7-9-15)17-11-4-2-3-5-11/h10-12H,2-9,14H2,1H3/t10-/m0/s1
InChIKeyOELIPGNXJPOIHP-JTQLQIEISA-N
MW240.35 g/mol
LogP1.28
Rot. Bonds3

About (2S)-2-amino-1-(4-cyclopentyloxypiperidin-1-yl)propan-1-one

(2S)-2-amino-1-(4-cyclopentyloxypiperidin-1-yl)propan-1-one (PubChem CID 119312938) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is (2S)-2-amino-1-(4-cyclopentyloxypiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-(4-cyclopentyloxypiperidin-1-yl)propan-1-one
PubChem CID119312938
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name(2S)-2-amino-1-(4-cyclopentyloxypiperidin-1-yl)propan-1-one
SMILESC[C@H](N)C(=O)N1CCC(OC2CCCC2)CC1
InChIInChI=1S/C13H24N2O2/c1-10(14)13(16)15-8-6-12(7-9-15)17-11-4-2-3-5-11/h10-12H,2-9,14H2,1H3/t10-/m0/s1
InChIKeyOELIPGNXJPOIHP-JTQLQIEISA-N
XLogP1.28
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-[4-[1-(2-methylpropanoyl)piperidin-4-yl]oxypiperidin-1-yl]propan-1-one
CID 165116537
[1-[(2S)-2-aminopropanoyl]piperidin-4-yl] acetate
CID 67663006
(2S)-2-amino-1-(4-propoxyazepan-1-yl)propan-1-one;hydrochloride
CID 119321485
(2S)-2-amino-1-[(3R)-3-methoxypyrrolidin-1-yl]propan-1-one
CID 66564457
(2S)-2-amino-1-(4-chloropiperidin-1-yl)propan-1-one
CID 66564392
2-amino-1-(4-methylpiperidin-1-yl)propan-1-one
CID 18715079
(2R)-2-amino-1-[4-(cyclopropylmethoxy)piperidin-1-yl]propan-1-one
CID 119337266
2-amino-1-(4-cyclopentyloxypiperidin-1-yl)-2-(oxan-4-yl)ethanone
CID 120791276
(2R)-2-amino-1-[4-(cyclopropylmethoxy)piperidin-1-yl]propan-1-one;hydrochloride
CID 119337265
(2R)-2-amino-1-(4-aminopiperidin-1-yl)propan-1-one;hydrochloride
CID 131089631
2-amino-1-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-1-one
CID 61041479
2-amino-1-(azetidin-1-yl)propan-1-one;hydrochloride
CID 53484454

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(4-cyclopentyloxypiperidin-1-yl)propan-1-one?
The IUPAC name of (2S)-2-amino-1-(4-cyclopentyloxypiperidin-1-yl)propan-1-one (CID 119312938) is (2S)-2-amino-1-(4-cyclopentyloxypiperidin-1-yl)propan-1-one.
What is the SMILES notation for (2S)-2-amino-1-(4-cyclopentyloxypiperidin-1-yl)propan-1-one?
The canonical SMILES for (2S)-2-amino-1-(4-cyclopentyloxypiperidin-1-yl)propan-1-one is C[C@H](N)C(=O)N1CCC(OC2CCCC2)CC1.
What is the InChIKey of (2S)-2-amino-1-(4-cyclopentyloxypiperidin-1-yl)propan-1-one?
The InChIKey is OELIPGNXJPOIHP-JTQLQIEISA-N. The full InChI is InChI=1S/C13H24N2O2/c1-10(14)13(16)15-8-6-12(7-9-15)17-11-4-2-3-5-11/h10-12H,2-9,14H2,1H3/t10-/m0/s1.
What are the key properties of (2S)-2-amino-1-(4-cyclopentyloxypiperidin-1-yl)propan-1-one?
(2S)-2-amino-1-(4-cyclopentyloxypiperidin-1-yl)propan-1-one has a molecular weight of 240.35 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-(4-cyclopentyloxypiperidin-1-yl)propan-1-one is sourced from PubChem (CID 119312938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).