1-[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]-3-phenoxypropan-1-one

C19H23N3O3 — CID 110802801

IUPAC1-[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]-3-phenoxypropan-1-one
SMILESCn1ccc(C(=O)N2CCN(C(=O)CCOc3ccccc3)CC2)c1
InChIInChI=1S/C19H23N3O3/c1-20-9-7-16(15-20)19(24)22-12-10-21(11-13-22)18(23)8-14-25-17-5-3-2-4-6-17/h2-7,9,15H,8,10-14H2,1H3
InChIKeyJTIXDHSKDBUKCN-UHFFFAOYSA-N
MW341.41 g/mol
LogP1.78
Rot. Bonds5

About 1-[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]-3-phenoxypropan-1-one

1-[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]-3-phenoxypropan-1-one (PubChem CID 110802801) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]-3-phenoxypropan-1-one.

Molecular Properties

Compound Name1-[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]-3-phenoxypropan-1-one
PubChem CID110802801
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name1-[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]-3-phenoxypropan-1-one
SMILESCn1ccc(C(=O)N2CCN(C(=O)CCOc3ccccc3)CC2)c1
InChIInChI=1S/C19H23N3O3/c1-20-9-7-16(15-20)19(24)22-12-10-21(11-13-22)18(23)8-14-25-17-5-3-2-4-6-17/h2-7,9,15H,8,10-14H2,1H3
InChIKeyJTIXDHSKDBUKCN-UHFFFAOYSA-N
XLogP1.78
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]-4-phenoxybutan-1-one
CID 110814012
1-(4-benzoylpiperazin-1-yl)-3-phenoxypropan-1-one
CID 112507736
1-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]-3-phenoxypropan-1-one
CID 110798285
3-phenoxy-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]propan-1-one
CID 108569450
3-phenoxy-1-[4-(3,4,5-trihydroxybenzoyl)piperazin-1-yl]propan-1-one
CID 108534866
3-phenoxy-1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 110817115
1-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-3-phenoxypropan-1-one
CID 34478048
4-phenoxy-1-[4-(3-phenoxypropanoyl)piperazin-1-yl]butan-1-one
CID 108536243
1-[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-3-phenoxypropan-1-one
CID 108544802
1-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-3-phenoxypropan-1-one
CID 110798374
1-[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]pentan-1-one
CID 110800670
1-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]-3-phenoxypropan-1-one
CID 108536488

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]-3-phenoxypropan-1-one?
The IUPAC name of 1-[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]-3-phenoxypropan-1-one (CID 110802801) is 1-[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]-3-phenoxypropan-1-one.
What is the SMILES notation for 1-[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]-3-phenoxypropan-1-one?
The canonical SMILES for 1-[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]-3-phenoxypropan-1-one is Cn1ccc(C(=O)N2CCN(C(=O)CCOc3ccccc3)CC2)c1.
What is the InChIKey of 1-[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]-3-phenoxypropan-1-one?
The InChIKey is JTIXDHSKDBUKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-20-9-7-16(15-20)19(24)22-12-10-21(11-13-22)18(23)8-14-25-17-5-3-2-4-6-17/h2-7,9,15H,8,10-14H2,1H3.
What are the key properties of 1-[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]-3-phenoxypropan-1-one?
1-[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]-3-phenoxypropan-1-one has a molecular weight of 341.41 g/mol, XLogP of 1.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]-3-phenoxypropan-1-one is sourced from PubChem (CID 110802801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).