[2-(1-aminoethyl)piperidin-1-yl]-(5-tert-butyl-1H-pyrazol-3-yl)methanone

C15H26N4O — CID 119437168

IUPAC[2-(1-aminoethyl)piperidin-1-yl]-(5-tert-butyl-1H-pyrazol-3-yl)methanone
SMILESCC(N)C1CCCCN1C(=O)c1cc(C(C)(C)C)[nH]n1
InChIInChI=1S/C15H26N4O/c1-10(16)12-7-5-6-8-19(12)14(20)11-9-13(18-17-11)15(2,3)4/h9-10,12H,5-8,16H2,1-4H3,(H,17,18)
InChIKeyRBJIINIDPZUVDM-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.05
Rot. Bonds2

About [2-(1-aminoethyl)piperidin-1-yl]-(5-tert-butyl-1H-pyrazol-3-yl)methanone

[2-(1-aminoethyl)piperidin-1-yl]-(5-tert-butyl-1H-pyrazol-3-yl)methanone (PubChem CID 119437168) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is [2-(1-aminoethyl)piperidin-1-yl]-(5-tert-butyl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name[2-(1-aminoethyl)piperidin-1-yl]-(5-tert-butyl-1H-pyrazol-3-yl)methanone
PubChem CID119437168
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name[2-(1-aminoethyl)piperidin-1-yl]-(5-tert-butyl-1H-pyrazol-3-yl)methanone
SMILESCC(N)C1CCCCN1C(=O)c1cc(C(C)(C)C)[nH]n1
InChIInChI=1S/C15H26N4O/c1-10(16)12-7-5-6-8-19(12)14(20)11-9-13(18-17-11)15(2,3)4/h9-10,12H,5-8,16H2,1-4H3,(H,17,18)
InChIKeyRBJIINIDPZUVDM-UHFFFAOYSA-N
XLogP2.05
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(1-aminoethyl)piperidin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone;hydrochloride
CID 119434902
(5-tert-butyl-1H-pyrazol-3-yl)-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 175652614
(5-tert-butyl-1H-pyrazol-3-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 99609321
(5-tert-butyl-1H-pyrazol-3-yl)-piperidin-1-ylmethanone
CID 110848778
(5-tert-butyl-1H-pyrazol-3-yl)-[(2R)-2-imidazo[1,2-a]pyrimidin-7-ylpiperidin-1-yl]methanone
CID 124963028
[(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone
CID 124693208
(5-tert-butyl-1H-pyrazol-3-yl)-(3-methylpiperidin-1-yl)methanone
CID 110856017
[(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 124569587
[2-(1-aminoethyl)piperidin-1-yl]-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone
CID 66156586
[(2R)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-[1-(4-fluorophenyl)triazol-4-yl]methanone
CID 125150672
[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-(5-methyl-3-pyridinyl)methanone
CID 124513794
[2-(1-aminoethyl)piperidin-1-yl]-(3,6-dimethylpyridazin-4-yl)methanone
CID 104671402

Frequently Asked Questions

What is the IUPAC name of [2-(1-aminoethyl)piperidin-1-yl]-(5-tert-butyl-1H-pyrazol-3-yl)methanone?
The IUPAC name of [2-(1-aminoethyl)piperidin-1-yl]-(5-tert-butyl-1H-pyrazol-3-yl)methanone (CID 119437168) is [2-(1-aminoethyl)piperidin-1-yl]-(5-tert-butyl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for [2-(1-aminoethyl)piperidin-1-yl]-(5-tert-butyl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for [2-(1-aminoethyl)piperidin-1-yl]-(5-tert-butyl-1H-pyrazol-3-yl)methanone is CC(N)C1CCCCN1C(=O)c1cc(C(C)(C)C)[nH]n1.
What is the InChIKey of [2-(1-aminoethyl)piperidin-1-yl]-(5-tert-butyl-1H-pyrazol-3-yl)methanone?
The InChIKey is RBJIINIDPZUVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-10(16)12-7-5-6-8-19(12)14(20)11-9-13(18-17-11)15(2,3)4/h9-10,12H,5-8,16H2,1-4H3,(H,17,18).
What are the key properties of [2-(1-aminoethyl)piperidin-1-yl]-(5-tert-butyl-1H-pyrazol-3-yl)methanone?
[2-(1-aminoethyl)piperidin-1-yl]-(5-tert-butyl-1H-pyrazol-3-yl)methanone has a molecular weight of 278.40 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-aminoethyl)piperidin-1-yl]-(5-tert-butyl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 119437168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).