(2R)-2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one

C17H29N5O — CID 95280328

IUPAC(2R)-2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESCCn1ccnc1CN1CCN([C@H](C)C(=O)N2CCCC2)CC1
InChIInChI=1S/C17H29N5O/c1-3-20-9-6-18-16(20)14-19-10-12-21(13-11-19)15(2)17(23)22-7-4-5-8-22/h6,9,15H,3-5,7-8,10-14H2,1-2H3/t15-/m1/s1
InChIKeyBHRBEAQFZCTDQU-OAHLLOKOSA-N
MW319.45 g/mol
LogP1.03
Rot. Bonds5

About (2R)-2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one

(2R)-2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 95280328) has the molecular formula C17H29N5O and a molecular weight of 319.45 g/mol. Its IUPAC name is (2R)-2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name(2R)-2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID95280328
Molecular FormulaC17H29N5O
Molecular Weight319.45 g/mol
Exact Mass319.24
IUPAC Name(2R)-2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESCCn1ccnc1CN1CCN([C@H](C)C(=O)N2CCCC2)CC1
InChIInChI=1S/C17H29N5O/c1-3-20-9-6-18-16(20)14-19-10-12-21(13-11-19)15(2)17(23)22-7-4-5-8-22/h6,9,15H,3-5,7-8,10-14H2,1-2H3/t15-/m1/s1
InChIKeyBHRBEAQFZCTDQU-OAHLLOKOSA-N
XLogP1.03
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one with MolForge

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Related Compounds

1-[4-(2-Methylimidazol-1-yl)but-2-ynyl]pyrrolidin-2-one
CID 15065550
1-[4-(2-Ethylimidazol-1-yl)but-2-ynyl]pyrrolidin-2-one
CID 15065551
1-(5-Imidazol-1-ylpent-3-yn-2-yl)pyrrolidin-2-one
CID 15065584
1-(2-Ethylpiperidin-1-yl)-3-imidazol-1-ylpropan-1-one
CID 4876352
1-Ethenyl-3-methylimidazol-3-ium;1-ethenylpyrrolidin-2-one;chloride
CID 163647
1-[4-(Dimethylamino)-1-piperidinyl]-3-(1-methyl-1H-imidazol-2-yl)-1-propanone
CID 71738795
N-cyclohexyl-2-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]acetamide
CID 44054736
1-(3-Imidazol-1-yl-propyl)-4-(2-pyrrolidin-1-yl-ethyl)-piperazine-2,5-dione
CID 44399942
Pyrrolidin-1-yl-[1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidin-2-yl]methanone
CID 53553936
1-(Azepan-1-yl)-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]propan-1-one
CID 53554684
1-(Azepan-1-yl)-2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]propan-1-one
CID 53557751
2-[4-[(1-Methylimidazol-2-yl)methyl]piperazin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 53559966

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of (2R)-2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one (CID 95280328) is (2R)-2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for (2R)-2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for (2R)-2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one is CCn1ccnc1CN1CCN([C@H](C)C(=O)N2CCCC2)CC1.
What is the InChIKey of (2R)-2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is BHRBEAQFZCTDQU-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H29N5O/c1-3-20-9-6-18-16(20)14-19-10-12-21(13-11-19)15(2)17(23)22-7-4-5-8-22/h6,9,15H,3-5,7-8,10-14H2,1-2H3/t15-/m1/s1.
What are the key properties of (2R)-2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one?
(2R)-2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 319.45 g/mol, XLogP of 1.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 95280328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).