N,N-dimethyl-2-[5-(6-methylpiperidin-2-yl)imidazol-1-yl]acetamide

C13H22N4O — CID 114715959

IUPACN,N-dimethyl-2-[5-(6-methylpiperidin-2-yl)imidazol-1-yl]acetamide
SMILESCC1CCCC(c2cncn2CC(=O)N(C)C)N1
InChIInChI=1S/C13H22N4O/c1-10-5-4-6-11(15-10)12-7-14-9-17(12)8-13(18)16(2)3/h7,9-11,15H,4-6,8H2,1-3H3
InChIKeyRSGCINWPFJFJLS-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.17
Rot. Bonds3

About N,N-dimethyl-2-[5-(6-methylpiperidin-2-yl)imidazol-1-yl]acetamide

N,N-dimethyl-2-[5-(6-methylpiperidin-2-yl)imidazol-1-yl]acetamide (PubChem CID 114715959) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N,N-dimethyl-2-[5-(6-methylpiperidin-2-yl)imidazol-1-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[5-(6-methylpiperidin-2-yl)imidazol-1-yl]acetamide
PubChem CID114715959
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN,N-dimethyl-2-[5-(6-methylpiperidin-2-yl)imidazol-1-yl]acetamide
SMILESCC1CCCC(c2cncn2CC(=O)N(C)C)N1
InChIInChI=1S/C13H22N4O/c1-10-5-4-6-11(15-10)12-7-14-9-17(12)8-13(18)16(2)3/h7,9-11,15H,4-6,8H2,1-3H3
InChIKeyRSGCINWPFJFJLS-UHFFFAOYSA-N
XLogP1.17
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Methyl-N-{[(2S)-6-oxo-2-piperidinyl]carbonyl}-L-histidyl-L-prolinamide
CID 16066773
1-Ethyl-N-{[(2S)-6-oxo-2-piperidinyl]carbonyl}-L-histidyl-L-prolinamide
CID 44422168
(2S)-2-amino-N-[(2S)-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-(1,3-diheptylimidazol-1-ium-4-yl)-1-oxopropan-2-yl]-5-(diaminomethylideneamino)pentanamide
CID 72708048
(2S)-2-amino-N-[(2S)-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-(1,3-didecylimidazol-1-ium-4-yl)-1-oxopropan-2-yl]-5-(diaminomethylideneamino)pentanamide
CID 72708050
(2S)-2-amino-N-[(2S)-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-(3-decylimidazol-4-yl)-1-oxopropan-2-yl]-5-(diaminomethylideneamino)pentanamide
CID 72708116
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1,3-didecylimidazol-1-ium-4-yl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanamide
CID 72708119
(2S)-2-amino-N-[(2S)-1-[[(2S)-1-amino-3-(1,3-didecylimidazol-1-ium-4-yl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-5-(diaminomethylideneamino)pentanamide
CID 72708186
(2S)-2-[[(2S)-2-amino-3-(1,3-didecylimidazol-1-ium-4-yl)propanoyl]amino]-5-(diaminomethylideneamino)pentanamide
CID 72708188
(2S)-2-amino-N-[(2S)-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-[1,3-di(tetradecyl)imidazol-1-ium-4-yl]-1-oxopropan-2-yl]-5-(diaminomethylideneamino)pentanamide
CID 72708115
1-[2-[6-(Methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone
CID 118739923
3-Imidazol-1-yl-1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 118739930
1-[2-[6-(Methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one
CID 118739949

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[5-(6-methylpiperidin-2-yl)imidazol-1-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[5-(6-methylpiperidin-2-yl)imidazol-1-yl]acetamide (CID 114715959) is N,N-dimethyl-2-[5-(6-methylpiperidin-2-yl)imidazol-1-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[5-(6-methylpiperidin-2-yl)imidazol-1-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[5-(6-methylpiperidin-2-yl)imidazol-1-yl]acetamide is CC1CCCC(c2cncn2CC(=O)N(C)C)N1.
What is the InChIKey of N,N-dimethyl-2-[5-(6-methylpiperidin-2-yl)imidazol-1-yl]acetamide?
The InChIKey is RSGCINWPFJFJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-10-5-4-6-11(15-10)12-7-14-9-17(12)8-13(18)16(2)3/h7,9-11,15H,4-6,8H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[5-(6-methylpiperidin-2-yl)imidazol-1-yl]acetamide?
N,N-dimethyl-2-[5-(6-methylpiperidin-2-yl)imidazol-1-yl]acetamide has a molecular weight of 250.35 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[5-(6-methylpiperidin-2-yl)imidazol-1-yl]acetamide is sourced from PubChem (CID 114715959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).