N-[6-[4-[3-(3-amino-1H-indol-5-yl)propyl]piperazin-1-yl]-2-oxochromen-3-yl]acetamide

C26H29N5O3 — CID 88882391

IUPACN-[6-[4-[3-(3-amino-1H-indol-5-yl)propyl]piperazin-1-yl]-2-oxochromen-3-yl]acetamide
SMILESCC(=O)Nc1cc2cc(N3CCN(CCCc4ccc5[nH]cc(N)c5c4)CC3)ccc2oc1=O
InChIInChI=1S/C26H29N5O3/c1-17(32)29-24-15-19-14-20(5-7-25(19)34-26(24)33)31-11-9-30(10-12-31)8-2-3-18-4-6-23-21(13-18)22(27)16-28-23/h4-7,13-16,28H,2-3,8-12,27H2,1H3,(H,29,32)
InChIKeyNOBGIJDCDRHKMO-UHFFFAOYSA-N
MW459.55 g/mol
LogP3.57
Rot. Bonds6

About N-[6-[4-[3-(3-amino-1H-indol-5-yl)propyl]piperazin-1-yl]-2-oxochromen-3-yl]acetamide

N-[6-[4-[3-(3-amino-1H-indol-5-yl)propyl]piperazin-1-yl]-2-oxochromen-3-yl]acetamide (PubChem CID 88882391) has the molecular formula C26H29N5O3 and a molecular weight of 459.55 g/mol. Its IUPAC name is N-[6-[4-[3-(3-amino-1H-indol-5-yl)propyl]piperazin-1-yl]-2-oxochromen-3-yl]acetamide.

Molecular Properties

Compound NameN-[6-[4-[3-(3-amino-1H-indol-5-yl)propyl]piperazin-1-yl]-2-oxochromen-3-yl]acetamide
PubChem CID88882391
Molecular FormulaC26H29N5O3
Molecular Weight459.55 g/mol
Exact Mass459.23
IUPAC NameN-[6-[4-[3-(3-amino-1H-indol-5-yl)propyl]piperazin-1-yl]-2-oxochromen-3-yl]acetamide
SMILESCC(=O)Nc1cc2cc(N3CCN(CCCc4ccc5[nH]cc(N)c5c4)CC3)ccc2oc1=O
InChIInChI=1S/C26H29N5O3/c1-17(32)29-24-15-19-14-20(5-7-25(19)34-26(24)33)31-11-9-30(10-12-31)8-2-3-18-4-6-23-21(13-18)22(27)16-28-23/h4-7,13-16,28H,2-3,8-12,27H2,1H3,(H,29,32)
InChIKeyNOBGIJDCDRHKMO-UHFFFAOYSA-N
XLogP3.57
TPSA107.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[6-[4-[3-(3-amino-1H-indol-5-yl)propyl]piperazin-1-yl]-2-oxochromen-3-yl]acetamide?
The IUPAC name of N-[6-[4-[3-(3-amino-1H-indol-5-yl)propyl]piperazin-1-yl]-2-oxochromen-3-yl]acetamide (CID 88882391) is N-[6-[4-[3-(3-amino-1H-indol-5-yl)propyl]piperazin-1-yl]-2-oxochromen-3-yl]acetamide.
What is the SMILES notation for N-[6-[4-[3-(3-amino-1H-indol-5-yl)propyl]piperazin-1-yl]-2-oxochromen-3-yl]acetamide?
The canonical SMILES for N-[6-[4-[3-(3-amino-1H-indol-5-yl)propyl]piperazin-1-yl]-2-oxochromen-3-yl]acetamide is CC(=O)Nc1cc2cc(N3CCN(CCCc4ccc5[nH]cc(N)c5c4)CC3)ccc2oc1=O.
What is the InChIKey of N-[6-[4-[3-(3-amino-1H-indol-5-yl)propyl]piperazin-1-yl]-2-oxochromen-3-yl]acetamide?
The InChIKey is NOBGIJDCDRHKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O3/c1-17(32)29-24-15-19-14-20(5-7-25(19)34-26(24)33)31-11-9-30(10-12-31)8-2-3-18-4-6-23-21(13-18)22(27)16-28-23/h4-7,13-16,28H,2-3,8-12,27H2,1H3,(H,29,32).
What are the key properties of N-[6-[4-[3-(3-amino-1H-indol-5-yl)propyl]piperazin-1-yl]-2-oxochromen-3-yl]acetamide?
N-[6-[4-[3-(3-amino-1H-indol-5-yl)propyl]piperazin-1-yl]-2-oxochromen-3-yl]acetamide has a molecular weight of 459.55 g/mol, XLogP of 3.57, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-[3-(3-amino-1H-indol-5-yl)propyl]piperazin-1-yl]-2-oxochromen-3-yl]acetamide is sourced from PubChem (CID 88882391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).