4-(4,6-dimethyl-1H-indole-2-carbonyl)-3-propylpiperazin-2-one

C18H23N3O2 — CID 138996495

IUPAC4-(4,6-dimethyl-1H-indole-2-carbonyl)-3-propylpiperazin-2-one
SMILESCCCC1C(=O)NCCN1C(=O)c1cc2c(C)cc(C)cc2[nH]1
InChIInChI=1S/C18H23N3O2/c1-4-5-16-17(22)19-6-7-21(16)18(23)15-10-13-12(3)8-11(2)9-14(13)20-15/h8-10,16,20H,4-7H2,1-3H3,(H,19,22)
InChIKeyHHYVATRSMHHIQQ-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.53
Rot. Bonds3

About 4-(4,6-dimethyl-1H-indole-2-carbonyl)-3-propylpiperazin-2-one

4-(4,6-dimethyl-1H-indole-2-carbonyl)-3-propylpiperazin-2-one (PubChem CID 138996495) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 4-(4,6-dimethyl-1H-indole-2-carbonyl)-3-propylpiperazin-2-one.

Molecular Properties

Compound Name4-(4,6-dimethyl-1H-indole-2-carbonyl)-3-propylpiperazin-2-one
PubChem CID138996495
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name4-(4,6-dimethyl-1H-indole-2-carbonyl)-3-propylpiperazin-2-one
SMILESCCCC1C(=O)NCCN1C(=O)c1cc2c(C)cc(C)cc2[nH]1
InChIInChI=1S/C18H23N3O2/c1-4-5-16-17(22)19-6-7-21(16)18(23)15-10-13-12(3)8-11(2)9-14(13)20-15/h8-10,16,20H,4-7H2,1-3H3,(H,19,22)
InChIKeyHHYVATRSMHHIQQ-UHFFFAOYSA-N
XLogP2.53
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2-cyclobutylpyrrolidin-1-yl)-(4,6-dimethyl-1H-indol-2-yl)methanone
CID 91642214
(3S)-3-(2-hydroxyethyl)-4-(4-methoxy-3,5-dimethylbenzoyl)piperazin-2-one
CID 95200368
4-(2-propan-2-ylpyrazole-3-carbonyl)-3-propylpiperazin-2-one
CID 146085468
(4,6-dimethyl-1H-indol-2-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78828303
4-(2,5-dimethylthiophene-3-carbonyl)-3-ethylpiperazin-2-one
CID 63601701
3-methyl-4-(2,4,6-trimethylbenzoyl)piperazin-2-one
CID 63605892
3-ethyl-4-(2-methylbenzoyl)piperazin-2-one
CID 63601884
2-[4-(4,6-dimethyl-1H-indole-2-carbonyl)morpholin-2-yl]acetic acid
CID 119248179
(4,6-dimethyl-1H-indol-2-yl)-(4-phenylpiperidin-1-yl)methanone
CID 39581120
3-ethyl-4-[5-methyl-2-(methylamino)benzoyl]piperazin-2-one
CID 63604617
(2R)-N-(3-chloro-2,6-dimethylphenyl)-2-(2-hydroxyethyl)-3-oxopiperazine-1-carboxamide
CID 97437593
(2S)-4-(4,6-dimethyl-1H-indole-2-carbonyl)morpholine-2-carboxylic acid
CID 124694567

Frequently Asked Questions

What is the IUPAC name of 4-(4,6-dimethyl-1H-indole-2-carbonyl)-3-propylpiperazin-2-one?
The IUPAC name of 4-(4,6-dimethyl-1H-indole-2-carbonyl)-3-propylpiperazin-2-one (CID 138996495) is 4-(4,6-dimethyl-1H-indole-2-carbonyl)-3-propylpiperazin-2-one.
What is the SMILES notation for 4-(4,6-dimethyl-1H-indole-2-carbonyl)-3-propylpiperazin-2-one?
The canonical SMILES for 4-(4,6-dimethyl-1H-indole-2-carbonyl)-3-propylpiperazin-2-one is CCCC1C(=O)NCCN1C(=O)c1cc2c(C)cc(C)cc2[nH]1.
What is the InChIKey of 4-(4,6-dimethyl-1H-indole-2-carbonyl)-3-propylpiperazin-2-one?
The InChIKey is HHYVATRSMHHIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-4-5-16-17(22)19-6-7-21(16)18(23)15-10-13-12(3)8-11(2)9-14(13)20-15/h8-10,16,20H,4-7H2,1-3H3,(H,19,22).
What are the key properties of 4-(4,6-dimethyl-1H-indole-2-carbonyl)-3-propylpiperazin-2-one?
4-(4,6-dimethyl-1H-indole-2-carbonyl)-3-propylpiperazin-2-one has a molecular weight of 313.40 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,6-dimethyl-1H-indole-2-carbonyl)-3-propylpiperazin-2-one is sourced from PubChem (CID 138996495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).