1-piperidin-1-yl-2-[(3-propylimidazol-4-yl)methylamino]propan-1-one

C15H26N4O — CID 66130168

IUPAC1-piperidin-1-yl-2-[(3-propylimidazol-4-yl)methylamino]propan-1-one
SMILESCCCn1cncc1CNC(C)C(=O)N1CCCCC1
InChIInChI=1S/C15H26N4O/c1-3-7-19-12-16-10-14(19)11-17-13(2)15(20)18-8-5-4-6-9-18/h10,12-13,17H,3-9,11H2,1-2H3
InChIKeyAGCKKEJEWIIPSG-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.78
Rot. Bonds6

About 1-piperidin-1-yl-2-[(3-propylimidazol-4-yl)methylamino]propan-1-one

1-piperidin-1-yl-2-[(3-propylimidazol-4-yl)methylamino]propan-1-one (PubChem CID 66130168) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-piperidin-1-yl-2-[(3-propylimidazol-4-yl)methylamino]propan-1-one.

Molecular Properties

Compound Name1-piperidin-1-yl-2-[(3-propylimidazol-4-yl)methylamino]propan-1-one
PubChem CID66130168
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name1-piperidin-1-yl-2-[(3-propylimidazol-4-yl)methylamino]propan-1-one
SMILESCCCn1cncc1CNC(C)C(=O)N1CCCCC1
InChIInChI=1S/C15H26N4O/c1-3-7-19-12-16-10-14(19)11-17-13(2)15(20)18-8-5-4-6-9-18/h10,12-13,17H,3-9,11H2,1-2H3
InChIKeyAGCKKEJEWIIPSG-UHFFFAOYSA-N
XLogP1.78
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-[4-[(3-propylimidazol-4-yl)methylamino]piperidin-1-yl]propan-1-one
CID 66130556
1-(azepan-1-yl)-2-chloro-2-(3-propylimidazol-4-yl)ethanone
CID 66130362
1-(azepan-1-yl)-2-(1,3-thiazol-5-ylmethylamino)propan-1-one
CID 104589380
2-[(3-methylimidazol-4-yl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 112690593
N-[(3-propylimidazol-4-yl)methyl]piperidin-1-amine
CID 83007579
N-[[3-(2-piperidin-1-ylethyl)imidazol-4-yl]methyl]propan-2-amine
CID 66152169
N-propan-2-yl-2-[(3-propylimidazol-4-yl)methylamino]acetamide
CID 66132937
methyl (2S)-3-methyl-2-[(3-propylimidazol-4-yl)methylamino]butanoate
CID 66130342
1-piperidin-1-yl-2-(pyrazin-2-ylmethylamino)propan-1-one
CID 62761838
methyl 2-[(3-propylimidazol-4-yl)methylamino]butanoate
CID 114283727
4-methyl-3-[(3-propylimidazol-4-yl)methylamino]pentan-1-ol
CID 106348786
N-[(3-ethylimidazol-4-yl)methyl]azocane-1-carboxamide
CID 122569446

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-2-[(3-propylimidazol-4-yl)methylamino]propan-1-one?
The IUPAC name of 1-piperidin-1-yl-2-[(3-propylimidazol-4-yl)methylamino]propan-1-one (CID 66130168) is 1-piperidin-1-yl-2-[(3-propylimidazol-4-yl)methylamino]propan-1-one.
What is the SMILES notation for 1-piperidin-1-yl-2-[(3-propylimidazol-4-yl)methylamino]propan-1-one?
The canonical SMILES for 1-piperidin-1-yl-2-[(3-propylimidazol-4-yl)methylamino]propan-1-one is CCCn1cncc1CNC(C)C(=O)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-yl-2-[(3-propylimidazol-4-yl)methylamino]propan-1-one?
The InChIKey is AGCKKEJEWIIPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-3-7-19-12-16-10-14(19)11-17-13(2)15(20)18-8-5-4-6-9-18/h10,12-13,17H,3-9,11H2,1-2H3.
What are the key properties of 1-piperidin-1-yl-2-[(3-propylimidazol-4-yl)methylamino]propan-1-one?
1-piperidin-1-yl-2-[(3-propylimidazol-4-yl)methylamino]propan-1-one has a molecular weight of 278.40 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-2-[(3-propylimidazol-4-yl)methylamino]propan-1-one is sourced from PubChem (CID 66130168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).