1-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-4-pyrrol-1-ylbutan-1-one

C16H23N5O — CID 129337757

IUPAC1-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-4-pyrrol-1-ylbutan-1-one
SMILESCN1CCN(C(=O)CCCn2cccc2)C[C@@H]1c1ncc[nH]1
InChIInChI=1S/C16H23N5O/c1-19-11-12-21(13-14(19)16-17-6-7-18-16)15(22)5-4-10-20-8-2-3-9-20/h2-3,6-9,14H,4-5,10-13H2,1H3,(H,17,18)/t14-/m1/s1
InChIKeySRWVAMGEOJQYFO-CQSZACIVSA-N
MW301.39 g/mol
LogP1.51
Rot. Bonds5

About 1-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-4-pyrrol-1-ylbutan-1-one

1-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-4-pyrrol-1-ylbutan-1-one (PubChem CID 129337757) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-4-pyrrol-1-ylbutan-1-one.

Molecular Properties

Compound Name1-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-4-pyrrol-1-ylbutan-1-one
PubChem CID129337757
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name1-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-4-pyrrol-1-ylbutan-1-one
SMILESCN1CCN(C(=O)CCCn2cccc2)C[C@@H]1c1ncc[nH]1
InChIInChI=1S/C16H23N5O/c1-19-11-12-21(13-14(19)16-17-6-7-18-16)15(22)5-4-10-20-8-2-3-9-20/h2-3,6-9,14H,4-5,10-13H2,1H3,(H,17,18)/t14-/m1/s1
InChIKeySRWVAMGEOJQYFO-CQSZACIVSA-N
XLogP1.51
TPSA57.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-4-pyrrol-1-ylbutan-1-one
CID 128965047
1-[3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-3-methoxypropan-1-one
CID 129000377
2-[(1R)-cyclopent-2-en-1-yl]-1-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]ethanone
CID 129331096
1-[3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-3-(oxan-2-yl)propan-1-one
CID 128993031
1-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-3-[(3R)-oxan-3-yl]propan-1-one
CID 129340791
2-(1-hydroxycyclohexyl)-1-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]ethanone
CID 129337493
1-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-4-methoxybutan-1-one
CID 129331737
[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-(2-methylphenyl)methanone
CID 129332731
[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-pyridin-2-ylmethanone
CID 129329822
1-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-3-methoxypropan-1-one
CID 129334597
[3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-(3-methyl-2-pyridinyl)methanone
CID 128993003
(2S)-2-hydroxy-1-[3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-2-phenylethanone
CID 128987740

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-4-pyrrol-1-ylbutan-1-one?
The IUPAC name of 1-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-4-pyrrol-1-ylbutan-1-one (CID 129337757) is 1-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-4-pyrrol-1-ylbutan-1-one.
What is the SMILES notation for 1-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-4-pyrrol-1-ylbutan-1-one?
The canonical SMILES for 1-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-4-pyrrol-1-ylbutan-1-one is CN1CCN(C(=O)CCCn2cccc2)C[C@@H]1c1ncc[nH]1.
What is the InChIKey of 1-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-4-pyrrol-1-ylbutan-1-one?
The InChIKey is SRWVAMGEOJQYFO-CQSZACIVSA-N. The full InChI is InChI=1S/C16H23N5O/c1-19-11-12-21(13-14(19)16-17-6-7-18-16)15(22)5-4-10-20-8-2-3-9-20/h2-3,6-9,14H,4-5,10-13H2,1H3,(H,17,18)/t14-/m1/s1.
What are the key properties of 1-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-4-pyrrol-1-ylbutan-1-one?
1-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-4-pyrrol-1-ylbutan-1-one has a molecular weight of 301.39 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-4-pyrrol-1-ylbutan-1-one is sourced from PubChem (CID 129337757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).