(2R)-1-acetyl-N-methyl-4-[3-(2-methylimidazol-1-yl)propanoyl]piperazine-2-carboxamide

C15H23N5O3 — CID 124977893

IUPAC(2R)-1-acetyl-N-methyl-4-[3-(2-methylimidazol-1-yl)propanoyl]piperazine-2-carboxamide
SMILESCNC(=O)[C@H]1CN(C(=O)CCn2ccnc2C)CCN1C(C)=O
InChIInChI=1S/C15H23N5O3/c1-11-17-5-7-18(11)6-4-14(22)19-8-9-20(12(2)21)13(10-19)15(23)16-3/h5,7,13H,4,6,8-10H2,1-3H3,(H,16,23)/t13-/m1/s1
InChIKeyLPXDTGANPAGCQU-CYBMUJFWSA-N
MW321.38 g/mol
LogP-0.61
Rot. Bonds4

About (2R)-1-acetyl-N-methyl-4-[3-(2-methylimidazol-1-yl)propanoyl]piperazine-2-carboxamide

(2R)-1-acetyl-N-methyl-4-[3-(2-methylimidazol-1-yl)propanoyl]piperazine-2-carboxamide (PubChem CID 124977893) has the molecular formula C15H23N5O3 and a molecular weight of 321.38 g/mol. Its IUPAC name is (2R)-1-acetyl-N-methyl-4-[3-(2-methylimidazol-1-yl)propanoyl]piperazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-acetyl-N-methyl-4-[3-(2-methylimidazol-1-yl)propanoyl]piperazine-2-carboxamide
PubChem CID124977893
Molecular FormulaC15H23N5O3
Molecular Weight321.38 g/mol
Exact Mass321.18
IUPAC Name(2R)-1-acetyl-N-methyl-4-[3-(2-methylimidazol-1-yl)propanoyl]piperazine-2-carboxamide
SMILESCNC(=O)[C@H]1CN(C(=O)CCn2ccnc2C)CCN1C(C)=O
InChIInChI=1S/C15H23N5O3/c1-11-17-5-7-18(11)6-4-14(22)19-8-9-20(12(2)21)13(10-19)15(23)16-3/h5,7,13H,4,6,8-10H2,1-3H3,(H,16,23)/t13-/m1/s1
InChIKeyLPXDTGANPAGCQU-CYBMUJFWSA-N
XLogP-0.61
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-acetyl-N,N-dimethyl-4-[4-(2-methylimidazol-1-yl)butanoyl]piperazine-2-carboxamide
CID 110086119
1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone
CID 90533655
3-(2-methylimidazol-1-yl)-1-(4-methyl-3-phenylpiperazin-1-yl)propan-1-one
CID 86284577
(2R)-1-acetyl-4-(1,3-dimethylpyrazole-4-carbonyl)-N-methylpiperazine-2-carboxamide
CID 125024551
1-acetyl-N-methyl-4-[3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)propanoyl]piperazine-2-carboxamide
CID 110085996
1-[4-(1-adamantyl)piperazin-1-yl]-3-(2-methylimidazol-1-yl)propan-1-one
CID 56904603
(2R)-1-acetyl-4-[3-(3-fluorophenoxy)propanoyl]-N-methylpiperazine-2-carboxamide
CID 124943012
4-(2-methylimidazol-1-yl)butan-2-one
CID 43121484
1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]pentan-1-one
CID 90533659
(2S)-1-acetyl-4-[3-(1H-benzimidazol-2-yl)propanoyl]-N-methylpiperazine-2-carboxamide
CID 125008235
3-(2-methylimidazol-1-yl)-1-[4-[(2S)-1-methylpiperidin-2-yl]piperidin-1-yl]propan-1-one
CID 92632378
2-[4-(2-methylimidazol-1-yl)butanoyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
CID 50970432

Frequently Asked Questions

What is the IUPAC name of (2R)-1-acetyl-N-methyl-4-[3-(2-methylimidazol-1-yl)propanoyl]piperazine-2-carboxamide?
The IUPAC name of (2R)-1-acetyl-N-methyl-4-[3-(2-methylimidazol-1-yl)propanoyl]piperazine-2-carboxamide (CID 124977893) is (2R)-1-acetyl-N-methyl-4-[3-(2-methylimidazol-1-yl)propanoyl]piperazine-2-carboxamide.
What is the SMILES notation for (2R)-1-acetyl-N-methyl-4-[3-(2-methylimidazol-1-yl)propanoyl]piperazine-2-carboxamide?
The canonical SMILES for (2R)-1-acetyl-N-methyl-4-[3-(2-methylimidazol-1-yl)propanoyl]piperazine-2-carboxamide is CNC(=O)[C@H]1CN(C(=O)CCn2ccnc2C)CCN1C(C)=O.
What is the InChIKey of (2R)-1-acetyl-N-methyl-4-[3-(2-methylimidazol-1-yl)propanoyl]piperazine-2-carboxamide?
The InChIKey is LPXDTGANPAGCQU-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H23N5O3/c1-11-17-5-7-18(11)6-4-14(22)19-8-9-20(12(2)21)13(10-19)15(23)16-3/h5,7,13H,4,6,8-10H2,1-3H3,(H,16,23)/t13-/m1/s1.
What are the key properties of (2R)-1-acetyl-N-methyl-4-[3-(2-methylimidazol-1-yl)propanoyl]piperazine-2-carboxamide?
(2R)-1-acetyl-N-methyl-4-[3-(2-methylimidazol-1-yl)propanoyl]piperazine-2-carboxamide has a molecular weight of 321.38 g/mol, XLogP of -0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-acetyl-N-methyl-4-[3-(2-methylimidazol-1-yl)propanoyl]piperazine-2-carboxamide is sourced from PubChem (CID 124977893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).