1-[4-(2,5-dimethyl-1H-pyrrole-3-carbonyl)piperazin-1-yl]-2-ethylbutan-1-one

C17H27N3O2 — CID 110801802

IUPAC1-[4-(2,5-dimethyl-1H-pyrrole-3-carbonyl)piperazin-1-yl]-2-ethylbutan-1-one
SMILESCCC(CC)C(=O)N1CCN(C(=O)c2cc(C)[nH]c2C)CC1
InChIInChI=1S/C17H27N3O2/c1-5-14(6-2)16(21)19-7-9-20(10-8-19)17(22)15-11-12(3)18-13(15)4/h11,14,18H,5-10H2,1-4H3
InChIKeyWNLRPAMFHFGCSW-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.35
Rot. Bonds4

About 1-[4-(2,5-dimethyl-1H-pyrrole-3-carbonyl)piperazin-1-yl]-2-ethylbutan-1-one

1-[4-(2,5-dimethyl-1H-pyrrole-3-carbonyl)piperazin-1-yl]-2-ethylbutan-1-one (PubChem CID 110801802) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 1-[4-(2,5-dimethyl-1H-pyrrole-3-carbonyl)piperazin-1-yl]-2-ethylbutan-1-one.

Molecular Properties

Compound Name1-[4-(2,5-dimethyl-1H-pyrrole-3-carbonyl)piperazin-1-yl]-2-ethylbutan-1-one
PubChem CID110801802
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name1-[4-(2,5-dimethyl-1H-pyrrole-3-carbonyl)piperazin-1-yl]-2-ethylbutan-1-one
SMILESCCC(CC)C(=O)N1CCN(C(=O)c2cc(C)[nH]c2C)CC1
InChIInChI=1S/C17H27N3O2/c1-5-14(6-2)16(21)19-7-9-20(10-8-19)17(22)15-11-12(3)18-13(15)4/h11,14,18H,5-10H2,1-4H3
InChIKeyWNLRPAMFHFGCSW-UHFFFAOYSA-N
XLogP2.35
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(2,5-dimethyl-1H-pyrrole-3-carbonyl)piperazin-1-yl]pentan-1-one
CID 110800718
2-ethyl-1-[4-(2-methylbenzoyl)piperazin-1-yl]butan-1-one
CID 110365362
1-[4-(2,5-dimethyl-1H-pyrrole-3-carbonyl)piperazin-1-yl]-2-(2,4,5-trimethylphenyl)ethanone
CID 110815788
(3,4-dimethylphenyl)-[4-(2,5-dimethyl-1H-pyrrole-3-carbonyl)piperazin-1-yl]methanone
CID 110814867
2-ethyl-1-[4-(2-sulfanylbenzoyl)piperazin-1-yl]butan-1-one
CID 108536569
4-(2,5-dimethyl-1H-pyrrole-3-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide
CID 110805088
[4-(2,5-dimethyl-1H-pyrrole-3-carbonyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 110815479
(2,5-dimethyl-1H-pyrrol-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 110766155
1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-2-ethylbutan-1-one
CID 108569544
1-[4-(2,5-dimethyl-1H-pyrrole-3-carbonyl)piperazin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 110804085
1-[4-(5-chloro-2-methoxy-4-methylbenzoyl)piperazin-1-yl]-2-ethylbutan-1-one
CID 110801762
[4-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)piperazin-1-yl]-(2,5-dimethyl-1H-pyrrol-3-yl)methanone
CID 110815769

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,5-dimethyl-1H-pyrrole-3-carbonyl)piperazin-1-yl]-2-ethylbutan-1-one?
The IUPAC name of 1-[4-(2,5-dimethyl-1H-pyrrole-3-carbonyl)piperazin-1-yl]-2-ethylbutan-1-one (CID 110801802) is 1-[4-(2,5-dimethyl-1H-pyrrole-3-carbonyl)piperazin-1-yl]-2-ethylbutan-1-one.
What is the SMILES notation for 1-[4-(2,5-dimethyl-1H-pyrrole-3-carbonyl)piperazin-1-yl]-2-ethylbutan-1-one?
The canonical SMILES for 1-[4-(2,5-dimethyl-1H-pyrrole-3-carbonyl)piperazin-1-yl]-2-ethylbutan-1-one is CCC(CC)C(=O)N1CCN(C(=O)c2cc(C)[nH]c2C)CC1.
What is the InChIKey of 1-[4-(2,5-dimethyl-1H-pyrrole-3-carbonyl)piperazin-1-yl]-2-ethylbutan-1-one?
The InChIKey is WNLRPAMFHFGCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-5-14(6-2)16(21)19-7-9-20(10-8-19)17(22)15-11-12(3)18-13(15)4/h11,14,18H,5-10H2,1-4H3.
What are the key properties of 1-[4-(2,5-dimethyl-1H-pyrrole-3-carbonyl)piperazin-1-yl]-2-ethylbutan-1-one?
1-[4-(2,5-dimethyl-1H-pyrrole-3-carbonyl)piperazin-1-yl]-2-ethylbutan-1-one has a molecular weight of 305.42 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,5-dimethyl-1H-pyrrole-3-carbonyl)piperazin-1-yl]-2-ethylbutan-1-one is sourced from PubChem (CID 110801802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).