2-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-N-prop-2-ynylpropanamide

C20H26N4O2 — CID 87017413

IUPAC2-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)N1CCN(CC(=O)N2CCc3ccccc32)CC1
InChIInChI=1S/C20H26N4O2/c1-3-9-21-20(26)16(2)23-13-11-22(12-14-23)15-19(25)24-10-8-17-6-4-5-7-18(17)24/h1,4-7,16H,8-15H2,2H3,(H,21,26)
InChIKeyCWCVOCWDPGNKBG-UHFFFAOYSA-N
MW354.45 g/mol
LogP0.33
Rot. Bonds5

About 2-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-N-prop-2-ynylpropanamide

2-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-N-prop-2-ynylpropanamide (PubChem CID 87017413) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-N-prop-2-ynylpropanamide.

Molecular Properties

Compound Name2-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-N-prop-2-ynylpropanamide
PubChem CID87017413
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name2-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)N1CCN(CC(=O)N2CCc3ccccc32)CC1
InChIInChI=1S/C20H26N4O2/c1-3-9-21-20(26)16(2)23-13-11-22(12-14-23)15-19(25)24-10-8-17-6-4-5-7-18(17)24/h1,4-7,16H,8-15H2,2H3,(H,21,26)
InChIKeyCWCVOCWDPGNKBG-UHFFFAOYSA-N
XLogP0.33
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]propanoic acid
CID 119134857
(2R)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 9207032
methyl (2S)-2-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]propanoate
CID 95637304
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propan-1-one
CID 51271595
(2S)-1-(2,3-dihydroindol-1-yl)-2-(4-ethylpiperazin-1-yl)propan-1-one
CID 1439229
2-(azepan-1-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 134062617
1-(2,3-dihydroindol-1-yl)-2-pyrrolidin-1-ylpropan-1-one
CID 42911822
(2S)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(2-phenylethyl)propanamide
CID 30741193
2-piperidin-1-yl-N-prop-2-ynylpropanamide
CID 130156837
2-[4-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]piperazin-1-yl]-N-ethylacetamide
CID 86923494
1-(2,3-dihydroindol-1-yl)-2-[4-[(1R)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]piperazin-1-yl]ethanone
CID 99787697
2-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 46662988

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-N-prop-2-ynylpropanamide?
The IUPAC name of 2-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-N-prop-2-ynylpropanamide (CID 87017413) is 2-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-N-prop-2-ynylpropanamide.
What is the SMILES notation for 2-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-N-prop-2-ynylpropanamide?
The canonical SMILES for 2-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-N-prop-2-ynylpropanamide is C#CCNC(=O)C(C)N1CCN(CC(=O)N2CCc3ccccc32)CC1.
What is the InChIKey of 2-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-N-prop-2-ynylpropanamide?
The InChIKey is CWCVOCWDPGNKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-3-9-21-20(26)16(2)23-13-11-22(12-14-23)15-19(25)24-10-8-17-6-4-5-7-18(17)24/h1,4-7,16H,8-15H2,2H3,(H,21,26).
What are the key properties of 2-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-N-prop-2-ynylpropanamide?
2-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-N-prop-2-ynylpropanamide has a molecular weight of 354.45 g/mol, XLogP of 0.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-N-prop-2-ynylpropanamide is sourced from PubChem (CID 87017413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).