1-[4-[(1-acetyl-2,3-dihydroindol-5-yl)amino]piperidin-1-yl]ethanone

C17H23N3O2 — CID 4547632

IUPAC1-[4-[(1-acetyl-2,3-dihydroindol-5-yl)amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Nc2ccc3c(c2)CCN3C(C)=O)CC1
InChIInChI=1S/C17H23N3O2/c1-12(21)19-8-6-15(7-9-19)18-16-3-4-17-14(11-16)5-10-20(17)13(2)22/h3-4,11,15,18H,5-10H2,1-2H3
InChIKeyNQNAQNGBRPYZLP-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.02
Rot. Bonds2

About 1-[4-[(1-acetyl-2,3-dihydroindol-5-yl)amino]piperidin-1-yl]ethanone

1-[4-[(1-acetyl-2,3-dihydroindol-5-yl)amino]piperidin-1-yl]ethanone (PubChem CID 4547632) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-[4-[(1-acetyl-2,3-dihydroindol-5-yl)amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(1-acetyl-2,3-dihydroindol-5-yl)amino]piperidin-1-yl]ethanone
PubChem CID4547632
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name1-[4-[(1-acetyl-2,3-dihydroindol-5-yl)amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Nc2ccc3c(c2)CCN3C(C)=O)CC1
InChIInChI=1S/C17H23N3O2/c1-12(21)19-8-6-15(7-9-19)18-16-3-4-17-14(11-16)5-10-20(17)13(2)22/h3-4,11,15,18H,5-10H2,1-2H3
InChIKeyNQNAQNGBRPYZLP-UHFFFAOYSA-N
XLogP2.02
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(cyclopentylamino)-2,3-dihydroindol-1-yl]ethanone
CID 43684604
1-[5-[(1,1-dioxothian-3-yl)amino]-2,3-dihydroindol-1-yl]ethanone
CID 63911652
1-[5-[(2-methyloxolan-3-yl)amino]-2,3-dihydroindol-1-yl]ethanone
CID 82727443
1-[4-(1-acetyl-2,3-dihydroindol-5-yl)piperazin-1-yl]ethanone
CID 82537881
(2R)-N-(1-acetyl-2,3-dihydroindol-5-yl)-2-aminopropanamide;hydrochloride
CID 119271750
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-methylbutanamide
CID 24684877
1-[4-(4-methylanilino)piperidin-1-yl]ethanone
CID 5307205
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-bromoacetamide
CID 63679851
1-(1-acetyl-2,3-dihydroindol-5-yl)-3-(4-methylphenyl)urea
CID 17485020
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-bromo-3-methylbutanamide
CID 43346617
N-(1-acetyl-2,3-dihydroindol-5-yl)-4-(2-oxopyrrolidin-1-yl)piperidine-1-carboxamide
CID 127286144
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119690426

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1-acetyl-2,3-dihydroindol-5-yl)amino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[(1-acetyl-2,3-dihydroindol-5-yl)amino]piperidin-1-yl]ethanone (CID 4547632) is 1-[4-[(1-acetyl-2,3-dihydroindol-5-yl)amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(1-acetyl-2,3-dihydroindol-5-yl)amino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(1-acetyl-2,3-dihydroindol-5-yl)amino]piperidin-1-yl]ethanone is CC(=O)N1CCC(Nc2ccc3c(c2)CCN3C(C)=O)CC1.
What is the InChIKey of 1-[4-[(1-acetyl-2,3-dihydroindol-5-yl)amino]piperidin-1-yl]ethanone?
The InChIKey is NQNAQNGBRPYZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-12(21)19-8-6-15(7-9-19)18-16-3-4-17-14(11-16)5-10-20(17)13(2)22/h3-4,11,15,18H,5-10H2,1-2H3.
What are the key properties of 1-[4-[(1-acetyl-2,3-dihydroindol-5-yl)amino]piperidin-1-yl]ethanone?
1-[4-[(1-acetyl-2,3-dihydroindol-5-yl)amino]piperidin-1-yl]ethanone has a molecular weight of 301.39 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1-acetyl-2,3-dihydroindol-5-yl)amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 4547632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).