(2S)-2-amino-1-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]pentan-1-one

C15H26N4O — CID 56747571

IUPAC(2S)-2-amino-1-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]pentan-1-one
SMILESCCC[C@H](N)C(=O)N1CCC(c2[nH]ncc2CC)CC1
InChIInChI=1S/C15H26N4O/c1-3-5-13(16)15(20)19-8-6-12(7-9-19)14-11(4-2)10-17-18-14/h10,12-13H,3-9,16H2,1-2H3,(H,17,18)/t13-/m0/s1
InChIKeyGOEYXOHIPZPBPK-ZDUSSCGKSA-N
MW278.40 g/mol
LogP1.81
Rot. Bonds5

About (2S)-2-amino-1-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]pentan-1-one

(2S)-2-amino-1-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]pentan-1-one (PubChem CID 56747571) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is (2S)-2-amino-1-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]pentan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]pentan-1-one
PubChem CID56747571
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name(2S)-2-amino-1-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]pentan-1-one
SMILESCCC[C@H](N)C(=O)N1CCC(c2[nH]ncc2CC)CC1
InChIInChI=1S/C15H26N4O/c1-3-5-13(16)15(20)19-8-6-12(7-9-19)14-11(4-2)10-17-18-14/h10,12-13H,3-9,16H2,1-2H3,(H,17,18)/t13-/m0/s1
InChIKeyGOEYXOHIPZPBPK-ZDUSSCGKSA-N
XLogP1.81
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]pentan-1-one?
The IUPAC name of (2S)-2-amino-1-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]pentan-1-one (CID 56747571) is (2S)-2-amino-1-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]pentan-1-one.
What is the SMILES notation for (2S)-2-amino-1-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]pentan-1-one?
The canonical SMILES for (2S)-2-amino-1-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]pentan-1-one is CCC[C@H](N)C(=O)N1CCC(c2[nH]ncc2CC)CC1.
What is the InChIKey of (2S)-2-amino-1-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]pentan-1-one?
The InChIKey is GOEYXOHIPZPBPK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H26N4O/c1-3-5-13(16)15(20)19-8-6-12(7-9-19)14-11(4-2)10-17-18-14/h10,12-13H,3-9,16H2,1-2H3,(H,17,18)/t13-/m0/s1.
What are the key properties of (2S)-2-amino-1-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]pentan-1-one?
(2S)-2-amino-1-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]pentan-1-one has a molecular weight of 278.40 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]pentan-1-one is sourced from PubChem (CID 56747571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).