1-(4-cyclopentylpiperazine-1-carbonyl)-2,3-dihydroindole-2-carboxylic acid

C19H25N3O3 — CID 174565327

IUPAC1-(4-cyclopentylpiperazine-1-carbonyl)-2,3-dihydroindole-2-carboxylic acid
SMILESO=C(O)C1Cc2ccccc2N1C(=O)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C19H25N3O3/c23-18(24)17-13-14-5-1-4-8-16(14)22(17)19(25)21-11-9-20(10-12-21)15-6-2-3-7-15/h1,4-5,8,15,17H,2-3,6-7,9-13H2,(H,23,24)
InChIKeyMQYUJAZWQAPZOZ-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.18
Rot. Bonds2

About 1-(4-cyclopentylpiperazine-1-carbonyl)-2,3-dihydroindole-2-carboxylic acid

1-(4-cyclopentylpiperazine-1-carbonyl)-2,3-dihydroindole-2-carboxylic acid (PubChem CID 174565327) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-(4-cyclopentylpiperazine-1-carbonyl)-2,3-dihydroindole-2-carboxylic acid.

Molecular Properties

Compound Name1-(4-cyclopentylpiperazine-1-carbonyl)-2,3-dihydroindole-2-carboxylic acid
PubChem CID174565327
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name1-(4-cyclopentylpiperazine-1-carbonyl)-2,3-dihydroindole-2-carboxylic acid
SMILESO=C(O)C1Cc2ccccc2N1C(=O)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C19H25N3O3/c23-18(24)17-13-14-5-1-4-8-16(14)22(17)19(25)21-11-9-20(10-12-21)15-6-2-3-7-15/h1,4-5,8,15,17H,2-3,6-7,9-13H2,(H,23,24)
InChIKeyMQYUJAZWQAPZOZ-UHFFFAOYSA-N
XLogP2.18
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(morpholine-4-carbonyl)-2,3-dihydroindole-2-carboxylic acid
CID 61187329
[(2R)-1-benzoyl-2,3-dihydroindol-2-yl]-(4-cyclohexylpiperazin-1-yl)methanone
CID 92710287
(2S)-1-(azepane-2-carbonyl)-2,3-dihydroindole-2-carboxylic acid
CID 64563855
1-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-2,3-dihydroindole-2-carboxylic acid
CID 114411873
(2S)-1-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2,3-dihydroindole-2-carboxylic acid
CID 61409734
1-acetyl-2,3-dihydroindole-2-carboxylic acid
CID 10058771
(2S)-1-(oxolane-2-carbonyl)-2,3-dihydroindole-2-carboxylic acid
CID 61143791
(2S)-1-(2-methylprop-2-enoyl)-2,3-dihydroindole-2-carboxylic acid
CID 12764226
1-(2-methylprop-2-enoyl)-2,3-dihydroindole-2-carboxylic acid
CID 12764223
(2S)-1-(2-methylcyclopropanecarbonyl)-2,3-dihydroindole-2-carboxylic acid
CID 61143649
(2S)-1-(oxane-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid
CID 62760682
(2S)-1-(2-chloroacetyl)-2,3-dihydroindole-2-carboxylic acid
CID 70127349

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopentylpiperazine-1-carbonyl)-2,3-dihydroindole-2-carboxylic acid?
The IUPAC name of 1-(4-cyclopentylpiperazine-1-carbonyl)-2,3-dihydroindole-2-carboxylic acid (CID 174565327) is 1-(4-cyclopentylpiperazine-1-carbonyl)-2,3-dihydroindole-2-carboxylic acid.
What is the SMILES notation for 1-(4-cyclopentylpiperazine-1-carbonyl)-2,3-dihydroindole-2-carboxylic acid?
The canonical SMILES for 1-(4-cyclopentylpiperazine-1-carbonyl)-2,3-dihydroindole-2-carboxylic acid is O=C(O)C1Cc2ccccc2N1C(=O)N1CCN(C2CCCC2)CC1.
What is the InChIKey of 1-(4-cyclopentylpiperazine-1-carbonyl)-2,3-dihydroindole-2-carboxylic acid?
The InChIKey is MQYUJAZWQAPZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c23-18(24)17-13-14-5-1-4-8-16(14)22(17)19(25)21-11-9-20(10-12-21)15-6-2-3-7-15/h1,4-5,8,15,17H,2-3,6-7,9-13H2,(H,23,24).
What are the key properties of 1-(4-cyclopentylpiperazine-1-carbonyl)-2,3-dihydroindole-2-carboxylic acid?
1-(4-cyclopentylpiperazine-1-carbonyl)-2,3-dihydroindole-2-carboxylic acid has a molecular weight of 343.43 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopentylpiperazine-1-carbonyl)-2,3-dihydroindole-2-carboxylic acid is sourced from PubChem (CID 174565327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).