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

C19H25N3O2 — CID 110800667

IUPAC1-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CCN(C(=O)c2cn(C)c3ccccc23)CC1
InChIInChI=1S/C19H25N3O2/c1-3-4-9-18(23)21-10-12-22(13-11-21)19(24)16-14-20(2)17-8-6-5-7-15(16)17/h5-8,14H,3-4,9-13H2,1-2H3
InChIKeySNGMSFCKLAMOPM-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.65
Rot. Bonds4

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

1-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]pentan-1-one (PubChem CID 110800667) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]pentan-1-one.

Molecular Properties

Compound Name1-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]pentan-1-one
PubChem CID110800667
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name1-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CCN(C(=O)c2cn(C)c3ccccc23)CC1
InChIInChI=1S/C19H25N3O2/c1-3-4-9-18(23)21-10-12-22(13-11-21)19(24)16-14-20(2)17-8-6-5-7-15(16)17/h5-8,14H,3-4,9-13H2,1-2H3
InChIKeySNGMSFCKLAMOPM-UHFFFAOYSA-N
XLogP2.65
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2-hydroxybenzoyl)piperazin-1-yl]pentan-1-one
CID 108534806
azetidin-1-yl-(1-methylindol-3-yl)methanone
CID 17458441
(1-methylindol-3-yl)-pyrrolidin-1-ylmethanone
CID 4207786
3-(2-methoxyphenyl)-1-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]propan-1-one
CID 39354592
1-[4-(1-methylindole-3-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110805536
4-(1-methylindole-3-carbonyl)piperazine-1-carbaldehyde
CID 110762463
(3-bromophenyl)-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]methanone
CID 29139468
1-(1-methylindol-3-yl)octan-1-one
CID 43340220
(3,4-dihydroxypyrrolidin-1-yl)-(1-methylindol-3-yl)methanone
CID 106671237
[4-(1-methylindole-3-carbonyl)-1,4-diazepan-1-yl]-pyridin-4-ylmethanone
CID 110808586
2-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 51279098
1-[4-(1H-indole-3-carbonyl)-1,4-diazepan-1-yl]pentan-1-one
CID 49206011

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]pentan-1-one?
The IUPAC name of 1-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]pentan-1-one (CID 110800667) is 1-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]pentan-1-one.
What is the SMILES notation for 1-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]pentan-1-one?
The canonical SMILES for 1-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]pentan-1-one is CCCCC(=O)N1CCN(C(=O)c2cn(C)c3ccccc23)CC1.
What is the InChIKey of 1-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]pentan-1-one?
The InChIKey is SNGMSFCKLAMOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-3-4-9-18(23)21-10-12-22(13-11-21)19(24)16-14-20(2)17-8-6-5-7-15(16)17/h5-8,14H,3-4,9-13H2,1-2H3.
What are the key properties of 1-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]pentan-1-one?
1-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]pentan-1-one has a molecular weight of 327.43 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]pentan-1-one is sourced from PubChem (CID 110800667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).