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

C15H23N3O2 — CID 110800670

IUPAC1-[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CCN(C(=O)c2ccn(C)c2)CC1
InChIInChI=1S/C15H23N3O2/c1-3-4-5-14(19)17-8-10-18(11-9-17)15(20)13-6-7-16(2)12-13/h6-7,12H,3-5,8-11H2,1-2H3
InChIKeyNOEFSVCBTSCJPP-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.50
Rot. Bonds4

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

1-[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]pentan-1-one (PubChem CID 110800670) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]pentan-1-one.

Molecular Properties

Compound Name1-[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]pentan-1-one
PubChem CID110800670
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name1-[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CCN(C(=O)c2ccn(C)c2)CC1
InChIInChI=1S/C15H23N3O2/c1-3-4-5-14(19)17-8-10-18(11-9-17)15(20)13-6-7-16(2)12-13/h6-7,12H,3-5,8-11H2,1-2H3
InChIKeyNOEFSVCBTSCJPP-UHFFFAOYSA-N
XLogP1.50
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]-4-phenoxybutan-1-one
CID 110814012
1-[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]-3-phenoxypropan-1-one
CID 110802801
1-[4,7,10,13,16-penta(pentanoyl)-1,4,7,10,13,16-hexazacyclooctadec-1-yl]pentan-1-one
CID 603333
1-[4-(2-hydroxybenzoyl)piperazin-1-yl]pentan-1-one
CID 108534806
[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 110803075
1-[4-(3,5-dihydroxybenzoyl)-1,4-diazepan-1-yl]pentan-1-one
CID 108547664
1-[4-(4-fluorobenzoyl)piperazin-1-yl]nonan-1-one
CID 78848555
3-(2-fluorophenyl)-1-[4-(1-methylpyrrole-3-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 110809653
1-[4-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonyl)piperazin-1-yl]pentan-1-one
CID 110800633
1-[4-(furan-3-carbonyl)piperazin-1-yl]octan-1-one
CID 134022004
(4-ethylsulfonyl-1,4-diazepan-1-yl)-(1-methylpyrrol-3-yl)methanone
CID 110810097
1-[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone
CID 110815393

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]pentan-1-one?
The IUPAC name of 1-[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]pentan-1-one (CID 110800670) is 1-[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]pentan-1-one.
What is the SMILES notation for 1-[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]pentan-1-one?
The canonical SMILES for 1-[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]pentan-1-one is CCCCC(=O)N1CCN(C(=O)c2ccn(C)c2)CC1.
What is the InChIKey of 1-[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]pentan-1-one?
The InChIKey is NOEFSVCBTSCJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-3-4-5-14(19)17-8-10-18(11-9-17)15(20)13-6-7-16(2)12-13/h6-7,12H,3-5,8-11H2,1-2H3.
What are the key properties of 1-[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]pentan-1-one?
1-[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]pentan-1-one has a molecular weight of 277.37 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]pentan-1-one is sourced from PubChem (CID 110800670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).