[3-(morpholin-4-ylmethyl)-1H-indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone

C21H30N4O2 — CID 25062471

IUPAC[3-(morpholin-4-ylmethyl)-1H-indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2ccc3[nH]cc(CN4CCOCC4)c3c2)CC1
InChIInChI=1S/C21H30N4O2/c1-16(2)24-5-7-25(8-6-24)21(26)17-3-4-20-19(13-17)18(14-22-20)15-23-9-11-27-12-10-23/h3-4,13-14,16,22H,5-12,15H2,1-2H3
InChIKeyGVWSXZBXAUIGEV-UHFFFAOYSA-N
MW370.50 g/mol
LogP2.17
Rot. Bonds4

About [3-(morpholin-4-ylmethyl)-1H-indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone

[3-(morpholin-4-ylmethyl)-1H-indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 25062471) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is [3-(morpholin-4-ylmethyl)-1H-indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3-(morpholin-4-ylmethyl)-1H-indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID25062471
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC Name[3-(morpholin-4-ylmethyl)-1H-indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2ccc3[nH]cc(CN4CCOCC4)c3c2)CC1
InChIInChI=1S/C21H30N4O2/c1-16(2)24-5-7-25(8-6-24)21(26)17-3-4-20-19(13-17)18(14-22-20)15-23-9-11-27-12-10-23/h3-4,13-14,16,22H,5-12,15H2,1-2H3
InChIKeyGVWSXZBXAUIGEV-UHFFFAOYSA-N
XLogP2.17
TPSA51.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Indoramin
CID 33625
Indole-5-carboxamide
CID 14973220
LY-517717
CID 9939865
Indoramin hydrochloride
CID 38102
5-Carboxamidotryptamine
CID 1809
Phenylglycine-01
CID 4695397
Fumiquinazoline F
CID 10089772
Ezm-0414
CID 146395245
Maleimide derivative, 12
CID 44263384
3-(4-(4-(4-(5-oxo-1,6-naphthyridin-6(5H)-yl)phenyl)piperazin-1-yl)butyl)-1H-indole-5-carbonitrile
CID 118190855
3-(3-(4-(4-(5-oxo-1,6-naphthyridin-6(5H)-yl)phenyl)piperazin-1-yl)propyl)-1H-indole-5-carbonitrile
CID 118191039
4-[(3S)-3-(but-2-ynoylamino)piperidin-1-yl]-2,3-dimethyl-1H-indole-7-carboxamide
CID 121293916

Frequently Asked Questions

What is the IUPAC name of [3-(morpholin-4-ylmethyl)-1H-indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [3-(morpholin-4-ylmethyl)-1H-indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone (CID 25062471) is [3-(morpholin-4-ylmethyl)-1H-indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [3-(morpholin-4-ylmethyl)-1H-indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [3-(morpholin-4-ylmethyl)-1H-indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone is CC(C)N1CCN(C(=O)c2ccc3[nH]cc(CN4CCOCC4)c3c2)CC1.
What is the InChIKey of [3-(morpholin-4-ylmethyl)-1H-indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is GVWSXZBXAUIGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-16(2)24-5-7-25(8-6-24)21(26)17-3-4-20-19(13-17)18(14-22-20)15-23-9-11-27-12-10-23/h3-4,13-14,16,22H,5-12,15H2,1-2H3.
What are the key properties of [3-(morpholin-4-ylmethyl)-1H-indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
[3-(morpholin-4-ylmethyl)-1H-indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 370.50 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(morpholin-4-ylmethyl)-1H-indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 25062471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).