1-propanoyl-N-[3-(4-propylpiperazin-1-yl)propyl]-2,3-dihydroindole-2-carboxamide

C22H34N4O2 — CID 20954539

IUPAC1-propanoyl-N-[3-(4-propylpiperazin-1-yl)propyl]-2,3-dihydroindole-2-carboxamide
SMILESCCCN1CCN(CCCNC(=O)C2Cc3ccccc3N2C(=O)CC)CC1
InChIInChI=1S/C22H34N4O2/c1-3-11-24-13-15-25(16-14-24)12-7-10-23-22(28)20-17-18-8-5-6-9-19(18)26(20)21(27)4-2/h5-6,8-9,20H,3-4,7,10-17H2,1-2H3,(H,23,28)
InChIKeyIIXUSZHUIUZBCB-UHFFFAOYSA-N
MW386.54 g/mol
LogP1.89
Rot. Bonds8

About 1-propanoyl-N-[3-(4-propylpiperazin-1-yl)propyl]-2,3-dihydroindole-2-carboxamide

1-propanoyl-N-[3-(4-propylpiperazin-1-yl)propyl]-2,3-dihydroindole-2-carboxamide (PubChem CID 20954539) has the molecular formula C22H34N4O2 and a molecular weight of 386.54 g/mol. Its IUPAC name is 1-propanoyl-N-[3-(4-propylpiperazin-1-yl)propyl]-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound Name1-propanoyl-N-[3-(4-propylpiperazin-1-yl)propyl]-2,3-dihydroindole-2-carboxamide
PubChem CID20954539
Molecular FormulaC22H34N4O2
Molecular Weight386.54 g/mol
Exact Mass386.27
IUPAC Name1-propanoyl-N-[3-(4-propylpiperazin-1-yl)propyl]-2,3-dihydroindole-2-carboxamide
SMILESCCCN1CCN(CCCNC(=O)C2Cc3ccccc3N2C(=O)CC)CC1
InChIInChI=1S/C22H34N4O2/c1-3-11-24-13-15-25(16-14-24)12-7-10-23-22(28)20-17-18-8-5-6-9-19(18)26(20)21(27)4-2/h5-6,8-9,20H,3-4,7,10-17H2,1-2H3,(H,23,28)
InChIKeyIIXUSZHUIUZBCB-UHFFFAOYSA-N
XLogP1.89
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-acetyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2,3-dihydroindole-2-carboxamide
CID 20954390
N-(3-methoxypropyl)-1-propanoyl-2,3-dihydroindole-2-carboxamide
CID 20954507
N-(3-methylbutyl)-1-propanoyl-2,3-dihydroindole-2-carboxamide
CID 20954495
(2R)-N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-1-propanoyl-2,3-dihydroindole-2-carboxamide
CID 94853705
(2S)-1-acetyl-N-[3-(4-benzylpiperazin-1-yl)propyl]-2,3-dihydroindole-2-carboxamide
CID 92765074
N-[2-[cyclohexyl(methyl)amino]ethyl]-1-propanoyl-2,3-dihydroindole-2-carboxamide
CID 20954540
N-[(4-methylsulfanylphenyl)methyl]-1-propanoyl-2,3-dihydroindole-2-carboxamide
CID 20954542
1-[(2S)-2-(4-propylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone
CID 92710234
N-cycloheptyl-1-propanoyl-2,3-dihydroindole-2-carboxamide
CID 20954482
1-[2-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-1-yl]propan-1-one
CID 20954459
1-benzoyl-N-(3-propylsulfanylpropyl)-2,3-dihydroindole-2-carboxamide
CID 20954717
N-butyl-5-piperidin-1-ylsulfonyl-1-propanoyl-2,3-dihydroindole-2-carboxamide
CID 46344563

Frequently Asked Questions

What is the IUPAC name of 1-propanoyl-N-[3-(4-propylpiperazin-1-yl)propyl]-2,3-dihydroindole-2-carboxamide?
The IUPAC name of 1-propanoyl-N-[3-(4-propylpiperazin-1-yl)propyl]-2,3-dihydroindole-2-carboxamide (CID 20954539) is 1-propanoyl-N-[3-(4-propylpiperazin-1-yl)propyl]-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for 1-propanoyl-N-[3-(4-propylpiperazin-1-yl)propyl]-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for 1-propanoyl-N-[3-(4-propylpiperazin-1-yl)propyl]-2,3-dihydroindole-2-carboxamide is CCCN1CCN(CCCNC(=O)C2Cc3ccccc3N2C(=O)CC)CC1.
What is the InChIKey of 1-propanoyl-N-[3-(4-propylpiperazin-1-yl)propyl]-2,3-dihydroindole-2-carboxamide?
The InChIKey is IIXUSZHUIUZBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O2/c1-3-11-24-13-15-25(16-14-24)12-7-10-23-22(28)20-17-18-8-5-6-9-19(18)26(20)21(27)4-2/h5-6,8-9,20H,3-4,7,10-17H2,1-2H3,(H,23,28).
What are the key properties of 1-propanoyl-N-[3-(4-propylpiperazin-1-yl)propyl]-2,3-dihydroindole-2-carboxamide?
1-propanoyl-N-[3-(4-propylpiperazin-1-yl)propyl]-2,3-dihydroindole-2-carboxamide has a molecular weight of 386.54 g/mol, XLogP of 1.89, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propanoyl-N-[3-(4-propylpiperazin-1-yl)propyl]-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 20954539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).