[4-(1-aminoethyl)piperidin-1-yl]-(1-tert-butyl-5-ethylpyrazol-4-yl)methanone

C17H30N4O — CID 119518724

IUPAC[4-(1-aminoethyl)piperidin-1-yl]-(1-tert-butyl-5-ethylpyrazol-4-yl)methanone
SMILESCCc1c(C(=O)N2CCC(C(C)N)CC2)cnn1C(C)(C)C
InChIInChI=1S/C17H30N4O/c1-6-15-14(11-19-21(15)17(3,4)5)16(22)20-9-7-13(8-10-20)12(2)18/h11-13H,6-10,18H2,1-5H3
InChIKeyTUERAYOGWBILBA-UHFFFAOYSA-N
MW306.45 g/mol
LogP2.40
Rot. Bonds3

About [4-(1-aminoethyl)piperidin-1-yl]-(1-tert-butyl-5-ethylpyrazol-4-yl)methanone

[4-(1-aminoethyl)piperidin-1-yl]-(1-tert-butyl-5-ethylpyrazol-4-yl)methanone (PubChem CID 119518724) has the molecular formula C17H30N4O and a molecular weight of 306.45 g/mol. Its IUPAC name is [4-(1-aminoethyl)piperidin-1-yl]-(1-tert-butyl-5-ethylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(1-aminoethyl)piperidin-1-yl]-(1-tert-butyl-5-ethylpyrazol-4-yl)methanone
PubChem CID119518724
Molecular FormulaC17H30N4O
Molecular Weight306.45 g/mol
Exact Mass306.24
IUPAC Name[4-(1-aminoethyl)piperidin-1-yl]-(1-tert-butyl-5-ethylpyrazol-4-yl)methanone
SMILESCCc1c(C(=O)N2CCC(C(C)N)CC2)cnn1C(C)(C)C
InChIInChI=1S/C17H30N4O/c1-6-15-14(11-19-21(15)17(3,4)5)16(22)20-9-7-13(8-10-20)12(2)18/h11-13H,6-10,18H2,1-5H3
InChIKeyTUERAYOGWBILBA-UHFFFAOYSA-N
XLogP2.40
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-(1-tert-butyl-5-ethylpyrazol-4-yl)methanone
CID 125146165
(1-tert-butyl-5-ethylpyrazol-4-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119646155
(1-tert-butyl-5-ethylpyrazol-4-yl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 119637028
(1-tert-butyl-5-ethylpyrazol-4-yl)-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone
CID 120833236
[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-(1-tert-butyl-5-methylpyrazol-4-yl)methanone
CID 124591955
[4-(1-aminoethyl)piperidin-1-yl]-pyrazolo[1,5-a]pyrazin-3-ylmethanone
CID 103120736
(1-tert-butyl-5-ethylpyrazol-4-yl)-[(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methanone
CID 129447475
(1-tert-butyl-5-ethylpyrazol-4-yl)-[(2R)-2-[(1R,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methanone
CID 100701114
[4-(1-aminoethyl)piperidin-1-yl]-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]methanone
CID 119517949
[4-(1-aminoethyl)piperidin-1-yl]-(2,3-dihydroxyphenyl)methanone
CID 114345026
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(1-tert-butyl-5-ethylpyrazol-4-yl)methanone;hydrochloride
CID 120742000
[4-(1-aminoethyl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 63595151

Frequently Asked Questions

What is the IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-(1-tert-butyl-5-ethylpyrazol-4-yl)methanone?
The IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-(1-tert-butyl-5-ethylpyrazol-4-yl)methanone (CID 119518724) is [4-(1-aminoethyl)piperidin-1-yl]-(1-tert-butyl-5-ethylpyrazol-4-yl)methanone.
What is the SMILES notation for [4-(1-aminoethyl)piperidin-1-yl]-(1-tert-butyl-5-ethylpyrazol-4-yl)methanone?
The canonical SMILES for [4-(1-aminoethyl)piperidin-1-yl]-(1-tert-butyl-5-ethylpyrazol-4-yl)methanone is CCc1c(C(=O)N2CCC(C(C)N)CC2)cnn1C(C)(C)C.
What is the InChIKey of [4-(1-aminoethyl)piperidin-1-yl]-(1-tert-butyl-5-ethylpyrazol-4-yl)methanone?
The InChIKey is TUERAYOGWBILBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O/c1-6-15-14(11-19-21(15)17(3,4)5)16(22)20-9-7-13(8-10-20)12(2)18/h11-13H,6-10,18H2,1-5H3.
What are the key properties of [4-(1-aminoethyl)piperidin-1-yl]-(1-tert-butyl-5-ethylpyrazol-4-yl)methanone?
[4-(1-aminoethyl)piperidin-1-yl]-(1-tert-butyl-5-ethylpyrazol-4-yl)methanone has a molecular weight of 306.45 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-aminoethyl)piperidin-1-yl]-(1-tert-butyl-5-ethylpyrazol-4-yl)methanone is sourced from PubChem (CID 119518724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).