[4-(4-chloro-1H-pyrrole-2-carbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone

C16H15ClFN3O2 — CID 32523893

IUPAC[4-(4-chloro-1H-pyrrole-2-carbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone
SMILESO=C(c1cccc(F)c1)N1CCN(C(=O)c2cc(Cl)c[nH]2)CC1
InChIInChI=1S/C16H15ClFN3O2/c17-12-9-14(19-10-12)16(23)21-6-4-20(5-7-21)15(22)11-2-1-3-13(18)8-11/h1-3,8-10,19H,4-7H2
InChIKeyMMKPOLUDHWVTBQ-UHFFFAOYSA-N
MW335.77 g/mol
LogP2.41
Rot. Bonds2

About [4-(4-chloro-1H-pyrrole-2-carbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone

[4-(4-chloro-1H-pyrrole-2-carbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone (PubChem CID 32523893) has the molecular formula C16H15ClFN3O2 and a molecular weight of 335.77 g/mol. Its IUPAC name is [4-(4-chloro-1H-pyrrole-2-carbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-(4-chloro-1H-pyrrole-2-carbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone
PubChem CID32523893
Molecular FormulaC16H15ClFN3O2
Molecular Weight335.77 g/mol
Exact Mass335.08
IUPAC Name[4-(4-chloro-1H-pyrrole-2-carbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone
SMILESO=C(c1cccc(F)c1)N1CCN(C(=O)c2cc(Cl)c[nH]2)CC1
InChIInChI=1S/C16H15ClFN3O2/c17-12-9-14(19-10-12)16(23)21-6-4-20(5-7-21)15(22)11-2-1-3-13(18)8-11/h1-3,8-10,19H,4-7H2
InChIKeyMMKPOLUDHWVTBQ-UHFFFAOYSA-N
XLogP2.41
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.77
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone
CID 753113
(3-fluorophenyl)-[4-(3-phenylbenzoyl)piperazin-1-yl]methanone
CID 110365297
(3-fluorophenyl)-piperidin-1-ylmethanone
CID 963335
2-(3-chlorophenyl)-1-[4-(3-fluorobenzoyl)piperazin-1-yl]ethanone
CID 110818175
[4-(2-chloroethyl)piperazin-1-yl]-(3-fluorophenyl)methanone
CID 39161614
[4-(5-bromo-2-chlorobenzoyl)piperazin-1-yl]-(3-fluorophenyl)methanone
CID 32521987
(4-chloro-1H-pyrrol-2-yl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 56820747
2-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]benzoic acid
CID 113083234
1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110365289
[4-(3,4-difluorophenyl)piperazin-1-yl]-(3-fluorophenyl)methanone
CID 86345157
(4-chloro-1H-pyrrol-2-yl)-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]methanone
CID 86903667
(3-fluorophenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 110721506

Frequently Asked Questions

What is the IUPAC name of [4-(4-chloro-1H-pyrrole-2-carbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone?
The IUPAC name of [4-(4-chloro-1H-pyrrole-2-carbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone (CID 32523893) is [4-(4-chloro-1H-pyrrole-2-carbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone.
What is the SMILES notation for [4-(4-chloro-1H-pyrrole-2-carbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone?
The canonical SMILES for [4-(4-chloro-1H-pyrrole-2-carbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone is O=C(c1cccc(F)c1)N1CCN(C(=O)c2cc(Cl)c[nH]2)CC1.
What is the InChIKey of [4-(4-chloro-1H-pyrrole-2-carbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone?
The InChIKey is MMKPOLUDHWVTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN3O2/c17-12-9-14(19-10-12)16(23)21-6-4-20(5-7-21)15(22)11-2-1-3-13(18)8-11/h1-3,8-10,19H,4-7H2.
What are the key properties of [4-(4-chloro-1H-pyrrole-2-carbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone?
[4-(4-chloro-1H-pyrrole-2-carbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone has a molecular weight of 335.77 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chloro-1H-pyrrole-2-carbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone is sourced from PubChem (CID 32523893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).