(2-aminocyclopentyl)-(4-tert-butylpiperazin-1-yl)methanone

C14H27N3O — CID 64823652

IUPAC(2-aminocyclopentyl)-(4-tert-butylpiperazin-1-yl)methanone
SMILESCC(C)(C)N1CCN(C(=O)C2CCCC2N)CC1
InChIInChI=1S/C14H27N3O/c1-14(2,3)17-9-7-16(8-10-17)13(18)11-5-4-6-12(11)15/h11-12H,4-10,15H2,1-3H3
InChIKeyIYKNTULSQQWTKC-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.06
Rot. Bonds1

About (2-aminocyclopentyl)-(4-tert-butylpiperazin-1-yl)methanone

(2-aminocyclopentyl)-(4-tert-butylpiperazin-1-yl)methanone (PubChem CID 64823652) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is (2-aminocyclopentyl)-(4-tert-butylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-aminocyclopentyl)-(4-tert-butylpiperazin-1-yl)methanone
PubChem CID64823652
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name(2-aminocyclopentyl)-(4-tert-butylpiperazin-1-yl)methanone
SMILESCC(C)(C)N1CCN(C(=O)C2CCCC2N)CC1
InChIInChI=1S/C14H27N3O/c1-14(2,3)17-9-7-16(8-10-17)13(18)11-5-4-6-12(11)15/h11-12H,4-10,15H2,1-3H3
InChIKeyIYKNTULSQQWTKC-UHFFFAOYSA-N
XLogP1.06
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2-aminocyclopentanecarbonyl)piperazin-1-yl]ethanone;hydrochloride
CID 119399085
(5-amino-2,4-dimethylcyclohexyl)-(4-tert-butylpiperazin-1-yl)methanone
CID 102706693
[(1S,2R)-2-aminocyclopentyl]-thiomorpholin-4-ylmethanone
CID 164661854
(2-aminocyclopentyl)-(4-ethylpiperidin-1-yl)methanone
CID 64823610
1-[4-(2-aminocyclopentanecarbonyl)piperazin-1-yl]-2-(dimethylamino)ethanone
CID 64823213
(2-aminocyclopentyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 64823507
(2-aminocyclohexyl)-(4-hydroxypiperidin-1-yl)methanone
CID 62776127
(2-aminocyclopentyl)-(4-benzoylpiperazin-1-yl)methanone
CID 119683412
(3-amino-4-methylcyclohexyl)-(4-tert-butylpiperazin-1-yl)methanone
CID 62782120
4-(2-aminocyclopentanecarbonyl)-1-methylpiperazin-2-one
CID 64851070
4-(2-aminocyclohexanecarbonyl)-N-ethylpiperazine-1-carboxamide
CID 64825150
(2-aminocyclopentyl)-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 107220787

Frequently Asked Questions

What is the IUPAC name of (2-aminocyclopentyl)-(4-tert-butylpiperazin-1-yl)methanone?
The IUPAC name of (2-aminocyclopentyl)-(4-tert-butylpiperazin-1-yl)methanone (CID 64823652) is (2-aminocyclopentyl)-(4-tert-butylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-aminocyclopentyl)-(4-tert-butylpiperazin-1-yl)methanone?
The canonical SMILES for (2-aminocyclopentyl)-(4-tert-butylpiperazin-1-yl)methanone is CC(C)(C)N1CCN(C(=O)C2CCCC2N)CC1.
What is the InChIKey of (2-aminocyclopentyl)-(4-tert-butylpiperazin-1-yl)methanone?
The InChIKey is IYKNTULSQQWTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-14(2,3)17-9-7-16(8-10-17)13(18)11-5-4-6-12(11)15/h11-12H,4-10,15H2,1-3H3.
What are the key properties of (2-aminocyclopentyl)-(4-tert-butylpiperazin-1-yl)methanone?
(2-aminocyclopentyl)-(4-tert-butylpiperazin-1-yl)methanone has a molecular weight of 253.39 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminocyclopentyl)-(4-tert-butylpiperazin-1-yl)methanone is sourced from PubChem (CID 64823652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).