4-(1H-indole-5-carbonyl)-3,3-dimethyl-1-propylpiperazin-2-one

C18H23N3O2 — CID 136533420

IUPAC4-(1H-indole-5-carbonyl)-3,3-dimethyl-1-propylpiperazin-2-one
SMILESCCCN1CCN(C(=O)c2ccc3[nH]ccc3c2)C(C)(C)C1=O
InChIInChI=1S/C18H23N3O2/c1-4-9-20-10-11-21(18(2,3)17(20)23)16(22)14-5-6-15-13(12-14)7-8-19-15/h5-8,12,19H,4,9-11H2,1-3H3
InChIKeyOECUJWRZSXOYAR-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.64
Rot. Bonds3

About 4-(1H-indole-5-carbonyl)-3,3-dimethyl-1-propylpiperazin-2-one

4-(1H-indole-5-carbonyl)-3,3-dimethyl-1-propylpiperazin-2-one (PubChem CID 136533420) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 4-(1H-indole-5-carbonyl)-3,3-dimethyl-1-propylpiperazin-2-one.

Molecular Properties

Compound Name4-(1H-indole-5-carbonyl)-3,3-dimethyl-1-propylpiperazin-2-one
PubChem CID136533420
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name4-(1H-indole-5-carbonyl)-3,3-dimethyl-1-propylpiperazin-2-one
SMILESCCCN1CCN(C(=O)c2ccc3[nH]ccc3c2)C(C)(C)C1=O
InChIInChI=1S/C18H23N3O2/c1-4-9-20-10-11-21(18(2,3)17(20)23)16(22)14-5-6-15-13(12-14)7-8-19-15/h5-8,12,19H,4,9-11H2,1-3H3
InChIKeyOECUJWRZSXOYAR-UHFFFAOYSA-N
XLogP2.64
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(2,2-dimethyl-3-oxo-4-propylpiperazine-1-carbonyl)-2-oxo-1-pyridinyl]acetic acid
CID 154866998
1-(2-methyl-3H-benzimidazole-5-carbonyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one
CID 162628389
3,3-dimethyl-1-propyl-4-(4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-2-one
CID 138000251
4-(3,4-dihydroxybenzoyl)-1,3,3-trimethylpiperazin-2-one
CID 103957472
1H-indol-5-yl-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone
CID 121185245
[4-[(dimethylamino)methyl]piperidin-1-yl]-(1H-indol-5-yl)methanone
CID 63723758
(2,4-dimethylpiperidin-1-yl)-(1H-indol-5-yl)methanone
CID 55236063
1H-indol-5-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 63717494
(4-ethylpiperazin-1-yl)-(1H-indol-5-yl)methanone;fluorobenzene
CID 174396061
1H-indol-5-yl-(3-methylmorpholin-4-yl)methanone
CID 63717142
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(1H-indol-5-yl)methanone
CID 112627387
(9-ethyl-2,9-diazaspiro[4.5]decan-2-yl)-(1H-indol-5-yl)methanone
CID 146098508

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indole-5-carbonyl)-3,3-dimethyl-1-propylpiperazin-2-one?
The IUPAC name of 4-(1H-indole-5-carbonyl)-3,3-dimethyl-1-propylpiperazin-2-one (CID 136533420) is 4-(1H-indole-5-carbonyl)-3,3-dimethyl-1-propylpiperazin-2-one.
What is the SMILES notation for 4-(1H-indole-5-carbonyl)-3,3-dimethyl-1-propylpiperazin-2-one?
The canonical SMILES for 4-(1H-indole-5-carbonyl)-3,3-dimethyl-1-propylpiperazin-2-one is CCCN1CCN(C(=O)c2ccc3[nH]ccc3c2)C(C)(C)C1=O.
What is the InChIKey of 4-(1H-indole-5-carbonyl)-3,3-dimethyl-1-propylpiperazin-2-one?
The InChIKey is OECUJWRZSXOYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-4-9-20-10-11-21(18(2,3)17(20)23)16(22)14-5-6-15-13(12-14)7-8-19-15/h5-8,12,19H,4,9-11H2,1-3H3.
What are the key properties of 4-(1H-indole-5-carbonyl)-3,3-dimethyl-1-propylpiperazin-2-one?
4-(1H-indole-5-carbonyl)-3,3-dimethyl-1-propylpiperazin-2-one has a molecular weight of 313.40 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indole-5-carbonyl)-3,3-dimethyl-1-propylpiperazin-2-one is sourced from PubChem (CID 136533420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).