1-(2-aminoethyl)-N-[(1-methylpiperidin-4-yl)methyl]imidazole-4-carboxamide

C13H23N5O — CID 107498035

IUPAC1-(2-aminoethyl)-N-[(1-methylpiperidin-4-yl)methyl]imidazole-4-carboxamide
SMILESCN1CCC(CNC(=O)c2cn(CCN)cn2)CC1
InChIInChI=1S/C13H23N5O/c1-17-5-2-11(3-6-17)8-15-13(19)12-9-18(7-4-14)10-16-12/h9-11H,2-8,14H2,1H3,(H,15,19)
InChIKeyVKOMRIIFOHRZMH-UHFFFAOYSA-N
MW265.36 g/mol
LogP-0.09
Rot. Bonds5

About 1-(2-aminoethyl)-N-[(1-methylpiperidin-4-yl)methyl]imidazole-4-carboxamide

1-(2-aminoethyl)-N-[(1-methylpiperidin-4-yl)methyl]imidazole-4-carboxamide (PubChem CID 107498035) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-[(1-methylpiperidin-4-yl)methyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-[(1-methylpiperidin-4-yl)methyl]imidazole-4-carboxamide
PubChem CID107498035
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name1-(2-aminoethyl)-N-[(1-methylpiperidin-4-yl)methyl]imidazole-4-carboxamide
SMILESCN1CCC(CNC(=O)c2cn(CCN)cn2)CC1
InChIInChI=1S/C13H23N5O/c1-17-5-2-11(3-6-17)8-15-13(19)12-9-18(7-4-14)10-16-12/h9-11H,2-8,14H2,1H3,(H,15,19)
InChIKeyVKOMRIIFOHRZMH-UHFFFAOYSA-N
XLogP-0.09
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-3-methylimidazole-4-carboxamide
CID 89705223
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
US10022354, Example 19
CID 121279557
5H,6H,7H,8H-imidazo(1,5-a)pyrazin-8-one
CID 55276476
5-N-[4-(diaminomethylideneamino)butyl]-2-N-[2-(methylamino)-2-oxoethyl]-1H-imidazole-2,5-dicarboxamide
CID 168297962
US10022354, Example 204
CID 121279712
US10858362, Example 7
CID 122652273
US10858362, Example 85
CID 122652381
US11691968, Example 59
CID 167524481
US11691968, Example 66
CID 167524496
US11691968, Example 65
CID 167524507

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-[(1-methylpiperidin-4-yl)methyl]imidazole-4-carboxamide?
The IUPAC name of 1-(2-aminoethyl)-N-[(1-methylpiperidin-4-yl)methyl]imidazole-4-carboxamide (CID 107498035) is 1-(2-aminoethyl)-N-[(1-methylpiperidin-4-yl)methyl]imidazole-4-carboxamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-[(1-methylpiperidin-4-yl)methyl]imidazole-4-carboxamide?
The canonical SMILES for 1-(2-aminoethyl)-N-[(1-methylpiperidin-4-yl)methyl]imidazole-4-carboxamide is CN1CCC(CNC(=O)c2cn(CCN)cn2)CC1.
What is the InChIKey of 1-(2-aminoethyl)-N-[(1-methylpiperidin-4-yl)methyl]imidazole-4-carboxamide?
The InChIKey is VKOMRIIFOHRZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-17-5-2-11(3-6-17)8-15-13(19)12-9-18(7-4-14)10-16-12/h9-11H,2-8,14H2,1H3,(H,15,19).
What are the key properties of 1-(2-aminoethyl)-N-[(1-methylpiperidin-4-yl)methyl]imidazole-4-carboxamide?
1-(2-aminoethyl)-N-[(1-methylpiperidin-4-yl)methyl]imidazole-4-carboxamide has a molecular weight of 265.36 g/mol, XLogP of -0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-[(1-methylpiperidin-4-yl)methyl]imidazole-4-carboxamide is sourced from PubChem (CID 107498035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).