N-(4-amino-1-methylpiperidin-4-yl)-2-(1-methylimidazol-2-yl)acetamide

C12H21N5O — CID 165030580

IUPACN-(4-amino-1-methylpiperidin-4-yl)-2-(1-methylimidazol-2-yl)acetamide
SMILESCN1CCC(N)(NC(=O)Cc2nccn2C)CC1
InChIInChI=1S/C12H21N5O/c1-16-6-3-12(13,4-7-16)15-11(18)9-10-14-5-8-17(10)2/h5,8H,3-4,6-7,9,13H2,1-2H3,(H,15,18)
InChIKeyMOYXXFLLBXESGJ-UHFFFAOYSA-N
MW251.33 g/mol
LogP-0.54
Rot. Bonds3

About N-(4-amino-1-methylpiperidin-4-yl)-2-(1-methylimidazol-2-yl)acetamide

N-(4-amino-1-methylpiperidin-4-yl)-2-(1-methylimidazol-2-yl)acetamide (PubChem CID 165030580) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is N-(4-amino-1-methylpiperidin-4-yl)-2-(1-methylimidazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-amino-1-methylpiperidin-4-yl)-2-(1-methylimidazol-2-yl)acetamide
PubChem CID165030580
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC NameN-(4-amino-1-methylpiperidin-4-yl)-2-(1-methylimidazol-2-yl)acetamide
SMILESCN1CCC(N)(NC(=O)Cc2nccn2C)CC1
InChIInChI=1S/C12H21N5O/c1-16-6-3-12(13,4-7-16)15-11(18)9-10-14-5-8-17(10)2/h5,8H,3-4,6-7,9,13H2,1-2H3,(H,15,18)
InChIKeyMOYXXFLLBXESGJ-UHFFFAOYSA-N
XLogP-0.54
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(1,4-dimethylpiperidin-4-yl)-2-(1-methylimidazol-2-yl)acetamide;ethane
CID 142326899
N-(2-methyl-1,3-dihydroisoindol-5-yl)-2-(1-methylimidazol-2-yl)acetamide
CID 110474684
2-(1-methylimidazol-2-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 110474647
1-(1-aminocyclopropyl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 114533271
1-(1-hydroxycycloheptyl)-2-(1-methylimidazol-2-yl)ethanone
CID 103450287
2-(1-methylimidazol-2-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 110474600
1-(1-methoxycyclopentyl)-2-(1-methylimidazol-2-yl)ethanone
CID 104610093
1-amino-N-[2-(1-methylimidazol-2-yl)ethyl]cyclobutane-1-carboxamide
CID 81171638
(E)-4-(4-aminophenyl)-1-(1-methylimidazol-2-yl)but-3-en-2-one
CID 116605766
N-(3,4-dimethylphenyl)-2-(1-methylimidazol-2-yl)acetamide
CID 110474605
3-amino-1-(1-methylimidazol-2-yl)butan-2-one
CID 116551768
1-(2-amino-3-fluorophenyl)-2-(1-methylimidazol-2-yl)ethanone
CID 116597700

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1-methylpiperidin-4-yl)-2-(1-methylimidazol-2-yl)acetamide?
The IUPAC name of N-(4-amino-1-methylpiperidin-4-yl)-2-(1-methylimidazol-2-yl)acetamide (CID 165030580) is N-(4-amino-1-methylpiperidin-4-yl)-2-(1-methylimidazol-2-yl)acetamide.
What is the SMILES notation for N-(4-amino-1-methylpiperidin-4-yl)-2-(1-methylimidazol-2-yl)acetamide?
The canonical SMILES for N-(4-amino-1-methylpiperidin-4-yl)-2-(1-methylimidazol-2-yl)acetamide is CN1CCC(N)(NC(=O)Cc2nccn2C)CC1.
What is the InChIKey of N-(4-amino-1-methylpiperidin-4-yl)-2-(1-methylimidazol-2-yl)acetamide?
The InChIKey is MOYXXFLLBXESGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-16-6-3-12(13,4-7-16)15-11(18)9-10-14-5-8-17(10)2/h5,8H,3-4,6-7,9,13H2,1-2H3,(H,15,18).
What are the key properties of N-(4-amino-1-methylpiperidin-4-yl)-2-(1-methylimidazol-2-yl)acetamide?
N-(4-amino-1-methylpiperidin-4-yl)-2-(1-methylimidazol-2-yl)acetamide has a molecular weight of 251.33 g/mol, XLogP of -0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-1-methylpiperidin-4-yl)-2-(1-methylimidazol-2-yl)acetamide is sourced from PubChem (CID 165030580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).