4-[(2S)-2-amino-3-(1-benzylimidazol-4-yl)propanoyl]-1-cyclopropylpiperazin-2-one

C20H25N5O2 — CID 119788597

IUPAC4-[(2S)-2-amino-3-(1-benzylimidazol-4-yl)propanoyl]-1-cyclopropylpiperazin-2-one
SMILESN[C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)N1CCN(C2CC2)C(=O)C1
InChIInChI=1S/C20H25N5O2/c21-18(20(27)24-8-9-25(17-6-7-17)19(26)13-24)10-16-12-23(14-22-16)11-15-4-2-1-3-5-15/h1-5,12,14,17-18H,6-11,13,21H2/t18-/m0/s1
InChIKeyHBDRQHYZLRUZLL-SFHVURJKSA-N
MW367.45 g/mol
LogP0.63
Rot. Bonds6

About 4-[(2S)-2-amino-3-(1-benzylimidazol-4-yl)propanoyl]-1-cyclopropylpiperazin-2-one

4-[(2S)-2-amino-3-(1-benzylimidazol-4-yl)propanoyl]-1-cyclopropylpiperazin-2-one (PubChem CID 119788597) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 4-[(2S)-2-amino-3-(1-benzylimidazol-4-yl)propanoyl]-1-cyclopropylpiperazin-2-one.

Molecular Properties

Compound Name4-[(2S)-2-amino-3-(1-benzylimidazol-4-yl)propanoyl]-1-cyclopropylpiperazin-2-one
PubChem CID119788597
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name4-[(2S)-2-amino-3-(1-benzylimidazol-4-yl)propanoyl]-1-cyclopropylpiperazin-2-one
SMILESN[C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)N1CCN(C2CC2)C(=O)C1
InChIInChI=1S/C20H25N5O2/c21-18(20(27)24-8-9-25(17-6-7-17)19(26)13-24)10-16-12-23(14-22-16)11-15-4-2-1-3-5-15/h1-5,12,14,17-18H,6-11,13,21H2/t18-/m0/s1
InChIKeyHBDRQHYZLRUZLL-SFHVURJKSA-N
XLogP0.63
TPSA84.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-3-(1-benzylimidazol-4-yl)-1-(4-phenylpiperidin-1-yl)propan-1-one
CID 119703068
(2S)-2-amino-3-(1-benzylimidazol-4-yl)-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one;dihydrochloride
CID 119806055
(2S)-2-amino-3-(1-benzylimidazol-4-yl)-1-(3,5-dimethylpiperidin-1-yl)propan-1-one;dihydrochloride
CID 119671990
(2S)-2-amino-3-(1-benzylimidazol-4-yl)-1-(4-ethylpiperazin-1-yl)propan-1-one;trihydrochloride
CID 119826656
(2S)-2-amino-3-(1-benzylimidazol-4-yl)-1-(3-ethylpiperidin-1-yl)propan-1-one
CID 119732802
(2S)-2-amino-3-(1-benzylimidazol-4-yl)-1-(4,4-dimethylazepan-1-yl)propan-1-one;dihydrochloride
CID 119803732
(2S)-2-amino-3-(1-benzylimidazol-4-yl)-1-(3,3-dimethylpiperidin-1-yl)propan-1-one;dihydrochloride
CID 119734709
2-amino-3-(1-benzylimidazol-4-yl)-N-(1-methylpiperidin-4-yl)propanamide
CID 69137777
1-[2-amino-3-(1-benzylimidazol-4-yl)propanoyl]-2,5-dihydropyrrole-2-carbonitrile
CID 18772240
(2S)-2-amino-3-(1-benzylimidazol-4-yl)-1-[2-(methoxymethyl)morpholin-4-yl]propan-1-one;dihydrochloride
CID 119793048
(2S)-2-amino-N-[2-[2-[[(2S)-2-amino-3-(1-benzylimidazol-4-yl)propanoyl]amino]ethylamino]ethyl]-3-(1-benzylimidazol-4-yl)propanamide
CID 11827812
4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-1-cyclohexylpiperazin-2-one
CID 118775809

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-amino-3-(1-benzylimidazol-4-yl)propanoyl]-1-cyclopropylpiperazin-2-one?
The IUPAC name of 4-[(2S)-2-amino-3-(1-benzylimidazol-4-yl)propanoyl]-1-cyclopropylpiperazin-2-one (CID 119788597) is 4-[(2S)-2-amino-3-(1-benzylimidazol-4-yl)propanoyl]-1-cyclopropylpiperazin-2-one.
What is the SMILES notation for 4-[(2S)-2-amino-3-(1-benzylimidazol-4-yl)propanoyl]-1-cyclopropylpiperazin-2-one?
The canonical SMILES for 4-[(2S)-2-amino-3-(1-benzylimidazol-4-yl)propanoyl]-1-cyclopropylpiperazin-2-one is N[C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)N1CCN(C2CC2)C(=O)C1.
What is the InChIKey of 4-[(2S)-2-amino-3-(1-benzylimidazol-4-yl)propanoyl]-1-cyclopropylpiperazin-2-one?
The InChIKey is HBDRQHYZLRUZLL-SFHVURJKSA-N. The full InChI is InChI=1S/C20H25N5O2/c21-18(20(27)24-8-9-25(17-6-7-17)19(26)13-24)10-16-12-23(14-22-16)11-15-4-2-1-3-5-15/h1-5,12,14,17-18H,6-11,13,21H2/t18-/m0/s1.
What are the key properties of 4-[(2S)-2-amino-3-(1-benzylimidazol-4-yl)propanoyl]-1-cyclopropylpiperazin-2-one?
4-[(2S)-2-amino-3-(1-benzylimidazol-4-yl)propanoyl]-1-cyclopropylpiperazin-2-one has a molecular weight of 367.45 g/mol, XLogP of 0.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-amino-3-(1-benzylimidazol-4-yl)propanoyl]-1-cyclopropylpiperazin-2-one is sourced from PubChem (CID 119788597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).