1-acetyl-N,N-dimethyl-4-[4-(2-methylimidazol-1-yl)butanoyl]piperazine-2-carboxamide

C17H27N5O3 — CID 110086119

IUPAC1-acetyl-N,N-dimethyl-4-[4-(2-methylimidazol-1-yl)butanoyl]piperazine-2-carboxamide
SMILESCC(=O)N1CCN(C(=O)CCCn2ccnc2C)CC1C(=O)N(C)C
InChIInChI=1S/C17H27N5O3/c1-13-18-7-9-20(13)8-5-6-16(24)21-10-11-22(14(2)23)15(12-21)17(25)19(3)4/h7,9,15H,5-6,8,10-12H2,1-4H3
InChIKeyAZDOKLVXYQFHRX-UHFFFAOYSA-N
MW349.44 g/mol
LogP0.12
Rot. Bonds5

About 1-acetyl-N,N-dimethyl-4-[4-(2-methylimidazol-1-yl)butanoyl]piperazine-2-carboxamide

1-acetyl-N,N-dimethyl-4-[4-(2-methylimidazol-1-yl)butanoyl]piperazine-2-carboxamide (PubChem CID 110086119) has the molecular formula C17H27N5O3 and a molecular weight of 349.44 g/mol. Its IUPAC name is 1-acetyl-N,N-dimethyl-4-[4-(2-methylimidazol-1-yl)butanoyl]piperazine-2-carboxamide.

Molecular Properties

Compound Name1-acetyl-N,N-dimethyl-4-[4-(2-methylimidazol-1-yl)butanoyl]piperazine-2-carboxamide
PubChem CID110086119
Molecular FormulaC17H27N5O3
Molecular Weight349.44 g/mol
Exact Mass349.21
IUPAC Name1-acetyl-N,N-dimethyl-4-[4-(2-methylimidazol-1-yl)butanoyl]piperazine-2-carboxamide
SMILESCC(=O)N1CCN(C(=O)CCCn2ccnc2C)CC1C(=O)N(C)C
InChIInChI=1S/C17H27N5O3/c1-13-18-7-9-20(13)8-5-6-16(24)21-10-11-22(14(2)23)15(12-21)17(25)19(3)4/h7,9,15H,5-6,8,10-12H2,1-4H3
InChIKeyAZDOKLVXYQFHRX-UHFFFAOYSA-N
XLogP0.12
TPSA78.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-acetyl-N-methyl-4-[3-(2-methylimidazol-1-yl)propanoyl]piperazine-2-carboxamide
CID 124977893
2-[4-(2-methylimidazol-1-yl)butanoyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
CID 50970432
(2R)-N,N-dimethyl-1-[3-(2-methylimidazol-1-yl)propyl]pyrrolidine-2-carboxamide
CID 97009294
4-(2-methylimidazol-1-yl)-1-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]butan-1-one
CID 95303189
4-(2-methylimidazol-1-yl)-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]butan-1-one
CID 95788736
1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]pentan-1-one
CID 90533659
1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone
CID 90533655
1-[(3R)-3-(3-fluorophenyl)pyrrolidin-1-yl]-4-(2-methylimidazol-1-yl)butan-1-one
CID 95341210
N,N-dimethyl-1,4-bis[3-(4-methylpyrazol-1-yl)propanoyl]piperazine-2-carboxamide
CID 71852909
N-[(3S,4R)-1-[4-(2-methylimidazol-1-yl)butanoyl]-4-(4-methylphenyl)pyrrolidin-3-yl]acetamide
CID 70711883
4-(2-methylimidazol-1-yl)butan-2-one
CID 43121484
(3S,4R)-1-[4-(2-methylimidazol-1-yl)butanoyl]-4-phenylpyrrolidine-3-carboxylic acid
CID 70786394

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N,N-dimethyl-4-[4-(2-methylimidazol-1-yl)butanoyl]piperazine-2-carboxamide?
The IUPAC name of 1-acetyl-N,N-dimethyl-4-[4-(2-methylimidazol-1-yl)butanoyl]piperazine-2-carboxamide (CID 110086119) is 1-acetyl-N,N-dimethyl-4-[4-(2-methylimidazol-1-yl)butanoyl]piperazine-2-carboxamide.
What is the SMILES notation for 1-acetyl-N,N-dimethyl-4-[4-(2-methylimidazol-1-yl)butanoyl]piperazine-2-carboxamide?
The canonical SMILES for 1-acetyl-N,N-dimethyl-4-[4-(2-methylimidazol-1-yl)butanoyl]piperazine-2-carboxamide is CC(=O)N1CCN(C(=O)CCCn2ccnc2C)CC1C(=O)N(C)C.
What is the InChIKey of 1-acetyl-N,N-dimethyl-4-[4-(2-methylimidazol-1-yl)butanoyl]piperazine-2-carboxamide?
The InChIKey is AZDOKLVXYQFHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O3/c1-13-18-7-9-20(13)8-5-6-16(24)21-10-11-22(14(2)23)15(12-21)17(25)19(3)4/h7,9,15H,5-6,8,10-12H2,1-4H3.
What are the key properties of 1-acetyl-N,N-dimethyl-4-[4-(2-methylimidazol-1-yl)butanoyl]piperazine-2-carboxamide?
1-acetyl-N,N-dimethyl-4-[4-(2-methylimidazol-1-yl)butanoyl]piperazine-2-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 0.12, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N,N-dimethyl-4-[4-(2-methylimidazol-1-yl)butanoyl]piperazine-2-carboxamide is sourced from PubChem (CID 110086119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).