1H-imidazol-5-yl-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone

C14H23N5O — CID 86284109

IUPAC1H-imidazol-5-yl-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone
SMILESCN1CCC(N2CCN(C(=O)c3cnc[nH]3)CC2)CC1
InChIInChI=1S/C14H23N5O/c1-17-4-2-12(3-5-17)18-6-8-19(9-7-18)14(20)13-10-15-11-16-13/h10-12H,2-9H2,1H3,(H,15,16)
InChIKeyNTNCHMDDCPOOGE-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.26
Rot. Bonds2

About 1H-imidazol-5-yl-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone

1H-imidazol-5-yl-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone (PubChem CID 86284109) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 1H-imidazol-5-yl-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name1H-imidazol-5-yl-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone
PubChem CID86284109
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name1H-imidazol-5-yl-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone
SMILESCN1CCC(N2CCN(C(=O)c3cnc[nH]3)CC2)CC1
InChIInChI=1S/C14H23N5O/c1-17-4-2-12(3-5-17)18-6-8-19(9-7-18)14(20)13-10-15-11-16-13/h10-12H,2-9H2,1H3,(H,15,16)
InChIKeyNTNCHMDDCPOOGE-UHFFFAOYSA-N
XLogP0.26
TPSA55.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-5-(piperidin-1-yl)pyrazine-2-carboxamide
CID 44438597
5-N-[4-(diaminomethylideneamino)butyl]-2-N-pentyl-1H-imidazole-2,5-dicarboxamide
CID 155201791
5-N-[4-(diaminomethylideneamino)butyl]-2-N-hexyl-1H-imidazole-2,5-dicarboxamide
CID 155201882
N-Methyl-1H-imidazole-4-carboxamide
CID 565659
5-N-[4-(diaminomethylideneamino)butyl]-2-N-[2-(methylamino)-2-oxoethyl]-1H-imidazole-2,5-dicarboxamide
CID 168297962
US10022354, Example 203
CID 132070232
N-(1-Methylethyl)-1H-imidazole-5-carboxamide
CID 18976076
[3-(2-Methylimidazol-1-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 53602141
(3-Aminopyrazin-2-yl)-[3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone
CID 53611364
1H-imidazol-5-yl-[3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone
CID 53612757
N-(diaminomethylidene)-1H-imidazole-5-carboxamide;hydrochloride
CID 57401494
N-(4-((1H-imidazol-2-yl)amino)-4-oxobutyl)pyrazine-2-carboxamide
CID 71702138

Frequently Asked Questions

What is the IUPAC name of 1H-imidazol-5-yl-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of 1H-imidazol-5-yl-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone (CID 86284109) is 1H-imidazol-5-yl-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for 1H-imidazol-5-yl-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for 1H-imidazol-5-yl-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone is CN1CCC(N2CCN(C(=O)c3cnc[nH]3)CC2)CC1.
What is the InChIKey of 1H-imidazol-5-yl-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone?
The InChIKey is NTNCHMDDCPOOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-17-4-2-12(3-5-17)18-6-8-19(9-7-18)14(20)13-10-15-11-16-13/h10-12H,2-9H2,1H3,(H,15,16).
What are the key properties of 1H-imidazol-5-yl-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone?
1H-imidazol-5-yl-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone has a molecular weight of 277.37 g/mol, XLogP of 0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazol-5-yl-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 86284109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).