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-(cyclopropylmethyl)-1-methylimidazole-4-carboxamide
CID 130626722
N-(2-acetamidoethyl)-1-(2-aminoethyl)imidazole-4-carboxamide
CID 107496025
5-amino-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2-carboxamide
CID 81316570
1-(2-aminoethyl)-N-[4-(2-methoxyethoxy)butyl]imidazole-4-carboxamide
CID 107499702
1-(2-aminoethyl)-N-(2-methylcyclopropyl)imidazole-4-carboxamide
CID 107498238
2-cyclobutylethyl 1-(2-aminoethyl)imidazole-4-carboxylate
CID 106202988
2-[[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]methyl]-2-ethylbutanoic acid
CID 107499474
1-(2-aminoethyl)-N-(2-ethyl-2-hydroxybutyl)imidazole-4-carboxamide
CID 107498968
1-(2-aminoethyl)-N-(2-thiomorpholin-4-ylethyl)imidazole-4-carboxamide
CID 106325265
1-(2-aminoethyl)-N-(2-pyrrol-1-ylethyl)imidazole-4-carboxamide
CID 106391058
1-(2-aminoethyl)-N-[3-(ethylamino)-3-oxopropyl]imidazole-4-carboxamide
CID 107499654
3-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]-2-hydroxypropanoic acid
CID 107499094

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).