N-methyl-2-[4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]acetamide

C12H21N5O — CID 74248778

IUPACN-methyl-2-[4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]acetamide
SMILESCNC(=O)CN1CCN(Cc2nc[nH]c2C)CC1
InChIInChI=1S/C12H21N5O/c1-10-11(15-9-14-10)7-16-3-5-17(6-4-16)8-12(18)13-2/h9H,3-8H2,1-2H3,(H,13,18)(H,14,15)
InChIKeyJJFHSBQWCYXGPD-UHFFFAOYSA-N
MW251.33 g/mol
LogP-0.42
Rot. Bonds4

About N-methyl-2-[4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]acetamide

N-methyl-2-[4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]acetamide (PubChem CID 74248778) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is N-methyl-2-[4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]acetamide
PubChem CID74248778
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC NameN-methyl-2-[4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]acetamide
SMILESCNC(=O)CN1CCN(Cc2nc[nH]c2C)CC1
InChIInChI=1S/C12H21N5O/c1-10-11(15-9-14-10)7-16-3-5-17(6-4-16)8-12(18)13-2/h9H,3-8H2,1-2H3,(H,13,18)(H,14,15)
InChIKeyJJFHSBQWCYXGPD-UHFFFAOYSA-N
XLogP-0.42
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazine
CID 3817838
N-methyl-N-[(4-methyl-1H-imidazol-5-yl)methyl]-2-morpholin-4-ylpropan-1-amine
CID 50971906
(2S,4R)-4-amino-N,N-diethyl-1-[(4-methyl-1H-imidazol-5-yl)methyl]pyrrolidine-2-carboxamide
CID 56721956
N-(3-methoxypropyl)-1-methyl-N-[(4-methyl-1H-imidazol-5-yl)methyl]-4-piperidinamine
CID 70764160
1-{1-[(4-methyl-1H-imidazol-5-yl)methyl]piperidin-3-yl}pyrrolidin-2-one
CID 74231333
2-{4-[(1-isopropyl-1H-imidazol-5-yl)methyl]piperazin-1-yl}-N-methylacetamide
CID 77085402
1-(4-methoxybutyl)-4-[(4-methyl-1H-imidazol-5-yl)carbonyl]piperazine
CID 124208686
N-[(3S)-1-acetylpiperidin-3-yl]-5-methyl-1H-imidazole-4-carboxamide
CID 125444421
(2S)-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-piperidin-1-ylpropanamide
CID 164642020
2-[5-(aminomethyl)-4-methylimidazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 53685528
1-[[4-(trifluoromethyl)-1H-imidazol-5-yl]methyl]piperazine
CID 174286758
2,2,2-trifluoro-1-[4-[(5-methyl-1H-imidazol-4-yl)methyl]-1,4-diazepan-1-yl]ethanone
CID 91837009

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-methyl-2-[4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]acetamide (CID 74248778) is N-methyl-2-[4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-methyl-2-[4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-methyl-2-[4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]acetamide is CNC(=O)CN1CCN(Cc2nc[nH]c2C)CC1.
What is the InChIKey of N-methyl-2-[4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]acetamide?
The InChIKey is JJFHSBQWCYXGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-10-11(15-9-14-10)7-16-3-5-17(6-4-16)8-12(18)13-2/h9H,3-8H2,1-2H3,(H,13,18)(H,14,15).
What are the key properties of N-methyl-2-[4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]acetamide?
N-methyl-2-[4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]acetamide has a molecular weight of 251.33 g/mol, XLogP of -0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 74248778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).