2-(tert-butylamino)-1-(3-imidazol-1-ylpiperidin-1-yl)ethanone

C14H24N4O — CID 56824877

IUPAC2-(tert-butylamino)-1-(3-imidazol-1-ylpiperidin-1-yl)ethanone
SMILESCC(C)(C)NCC(=O)N1CCCC(n2ccnc2)C1
InChIInChI=1S/C14H24N4O/c1-14(2,3)16-9-13(19)17-7-4-5-12(10-17)18-8-6-15-11-18/h6,8,11-12,16H,4-5,7,9-10H2,1-3H3
InChIKeyDNFHXGJATCBHQZ-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.43
Rot. Bonds3

About 2-(tert-butylamino)-1-(3-imidazol-1-ylpiperidin-1-yl)ethanone

2-(tert-butylamino)-1-(3-imidazol-1-ylpiperidin-1-yl)ethanone (PubChem CID 56824877) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-(tert-butylamino)-1-(3-imidazol-1-ylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(tert-butylamino)-1-(3-imidazol-1-ylpiperidin-1-yl)ethanone
PubChem CID56824877
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name2-(tert-butylamino)-1-(3-imidazol-1-ylpiperidin-1-yl)ethanone
SMILESCC(C)(C)NCC(=O)N1CCCC(n2ccnc2)C1
InChIInChI=1S/C14H24N4O/c1-14(2,3)16-9-13(19)17-7-4-5-12(10-17)18-8-6-15-11-18/h6,8,11-12,16H,4-5,7,9-10H2,1-3H3
InChIKeyDNFHXGJATCBHQZ-UHFFFAOYSA-N
XLogP1.43
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-1-(3-imidazol-1-ylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(tert-butylamino)-1-(3-imidazol-1-ylpiperidin-1-yl)ethanone (CID 56824877) is 2-(tert-butylamino)-1-(3-imidazol-1-ylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(tert-butylamino)-1-(3-imidazol-1-ylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(tert-butylamino)-1-(3-imidazol-1-ylpiperidin-1-yl)ethanone is CC(C)(C)NCC(=O)N1CCCC(n2ccnc2)C1.
What is the InChIKey of 2-(tert-butylamino)-1-(3-imidazol-1-ylpiperidin-1-yl)ethanone?
The InChIKey is DNFHXGJATCBHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-14(2,3)16-9-13(19)17-7-4-5-12(10-17)18-8-6-15-11-18/h6,8,11-12,16H,4-5,7,9-10H2,1-3H3.
What are the key properties of 2-(tert-butylamino)-1-(3-imidazol-1-ylpiperidin-1-yl)ethanone?
2-(tert-butylamino)-1-(3-imidazol-1-ylpiperidin-1-yl)ethanone has a molecular weight of 264.37 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-1-(3-imidazol-1-ylpiperidin-1-yl)ethanone is sourced from PubChem (CID 56824877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).