[4-[3-(2-propan-2-ylimidazol-1-yl)propylamino]piperidin-1-yl]-thiophen-2-ylmethanone

C19H28N4OS — CID 131924702

IUPAC[4-[3-(2-propan-2-ylimidazol-1-yl)propylamino]piperidin-1-yl]-thiophen-2-ylmethanone
SMILESCC(C)c1nccn1CCCNC1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C19H28N4OS/c1-15(2)18-21-9-13-22(18)10-4-8-20-16-6-11-23(12-7-16)19(24)17-5-3-14-25-17/h3,5,9,13-16,20H,4,6-8,10-12H2,1-2H3
InChIKeyYCOPPRWHGFVWGN-UHFFFAOYSA-N
MW360.53 g/mol
LogP3.35
Rot. Bonds7

About [4-[3-(2-propan-2-ylimidazol-1-yl)propylamino]piperidin-1-yl]-thiophen-2-ylmethanone

[4-[3-(2-propan-2-ylimidazol-1-yl)propylamino]piperidin-1-yl]-thiophen-2-ylmethanone (PubChem CID 131924702) has the molecular formula C19H28N4OS and a molecular weight of 360.53 g/mol. Its IUPAC name is [4-[3-(2-propan-2-ylimidazol-1-yl)propylamino]piperidin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-[3-(2-propan-2-ylimidazol-1-yl)propylamino]piperidin-1-yl]-thiophen-2-ylmethanone
PubChem CID131924702
Molecular FormulaC19H28N4OS
Molecular Weight360.53 g/mol
Exact Mass360.20
IUPAC Name[4-[3-(2-propan-2-ylimidazol-1-yl)propylamino]piperidin-1-yl]-thiophen-2-ylmethanone
SMILESCC(C)c1nccn1CCCNC1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C19H28N4OS/c1-15(2)18-21-9-13-22(18)10-4-8-20-16-6-11-23(12-7-16)19(24)17-5-3-14-25-17/h3,5,9,13-16,20H,4,6-8,10-12H2,1-2H3
InChIKeyYCOPPRWHGFVWGN-UHFFFAOYSA-N
XLogP3.35
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.53
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-[3-(2-propan-2-ylimidazol-1-yl)propylamino]piperidin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-[3-(2-propan-2-ylimidazol-1-yl)propylamino]piperidin-1-yl]-thiophen-2-ylmethanone (CID 131924702) is [4-[3-(2-propan-2-ylimidazol-1-yl)propylamino]piperidin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-[3-(2-propan-2-ylimidazol-1-yl)propylamino]piperidin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-[3-(2-propan-2-ylimidazol-1-yl)propylamino]piperidin-1-yl]-thiophen-2-ylmethanone is CC(C)c1nccn1CCCNC1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of [4-[3-(2-propan-2-ylimidazol-1-yl)propylamino]piperidin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is YCOPPRWHGFVWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4OS/c1-15(2)18-21-9-13-22(18)10-4-8-20-16-6-11-23(12-7-16)19(24)17-5-3-14-25-17/h3,5,9,13-16,20H,4,6-8,10-12H2,1-2H3.
What are the key properties of [4-[3-(2-propan-2-ylimidazol-1-yl)propylamino]piperidin-1-yl]-thiophen-2-ylmethanone?
[4-[3-(2-propan-2-ylimidazol-1-yl)propylamino]piperidin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 360.53 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(2-propan-2-ylimidazol-1-yl)propylamino]piperidin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 131924702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).