1-acetyl-N-(3-methylpiperidin-4-yl)-2,3-dihydroindole-5-carboxamide

C17H23N3O2 — CID 120557717

IUPAC1-acetyl-N-(3-methylpiperidin-4-yl)-2,3-dihydroindole-5-carboxamide
SMILESCC(=O)N1CCc2cc(C(=O)NC3CCNCC3C)ccc21
InChIInChI=1S/C17H23N3O2/c1-11-10-18-7-5-15(11)19-17(22)14-3-4-16-13(9-14)6-8-20(16)12(2)21/h3-4,9,11,15,18H,5-8,10H2,1-2H3,(H,19,22)
InChIKeyLUXIDDNDVRYWAH-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.32
Rot. Bonds2

About 1-acetyl-N-(3-methylpiperidin-4-yl)-2,3-dihydroindole-5-carboxamide

1-acetyl-N-(3-methylpiperidin-4-yl)-2,3-dihydroindole-5-carboxamide (PubChem CID 120557717) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-acetyl-N-(3-methylpiperidin-4-yl)-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(3-methylpiperidin-4-yl)-2,3-dihydroindole-5-carboxamide
PubChem CID120557717
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name1-acetyl-N-(3-methylpiperidin-4-yl)-2,3-dihydroindole-5-carboxamide
SMILESCC(=O)N1CCc2cc(C(=O)NC3CCNCC3C)ccc21
InChIInChI=1S/C17H23N3O2/c1-11-10-18-7-5-15(11)19-17(22)14-3-4-16-13(9-14)6-8-20(16)12(2)21/h3-4,9,11,15,18H,5-8,10H2,1-2H3,(H,19,22)
InChIKeyLUXIDDNDVRYWAH-UHFFFAOYSA-N
XLogP1.32
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylpiperidin-4-yl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide;hydrochloride
CID 120554270
N-(3-methylpiperidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 120555926
1-acetyl-N-(8-azabicyclo[3.2.1]octan-3-yl)-2,3-dihydroindole-5-carboxamide
CID 119260114
1-acetyl-N-[(1R,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]-2,3-dihydroindole-5-carboxamide
CID 95620460
1-acetyl-N-(2,2-dimethyloxan-4-yl)-2,3-dihydroindole-5-carboxamide
CID 146083815
4-iodo-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120557720
1-acetyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydroindole-5-carboxamide
CID 119260435
4-chloro-3-iodo-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120557633
N-(3-methylpiperidin-4-yl)-4-(trifluoromethyl)benzamide
CID 79886798
1-acetyl-N-[(3R)-pyrrolidin-3-yl]-2,3-dihydroindole-5-sulfonamide
CID 79690713
1-acetyl-N-[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-2,3-dihydroindole-5-carboxamide
CID 95614509
3-N-(3-methylpiperidin-4-yl)benzene-1,3-dicarboxamide;hydrochloride
CID 120555486

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(3-methylpiperidin-4-yl)-2,3-dihydroindole-5-carboxamide?
The IUPAC name of 1-acetyl-N-(3-methylpiperidin-4-yl)-2,3-dihydroindole-5-carboxamide (CID 120557717) is 1-acetyl-N-(3-methylpiperidin-4-yl)-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for 1-acetyl-N-(3-methylpiperidin-4-yl)-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for 1-acetyl-N-(3-methylpiperidin-4-yl)-2,3-dihydroindole-5-carboxamide is CC(=O)N1CCc2cc(C(=O)NC3CCNCC3C)ccc21.
What is the InChIKey of 1-acetyl-N-(3-methylpiperidin-4-yl)-2,3-dihydroindole-5-carboxamide?
The InChIKey is LUXIDDNDVRYWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-11-10-18-7-5-15(11)19-17(22)14-3-4-16-13(9-14)6-8-20(16)12(2)21/h3-4,9,11,15,18H,5-8,10H2,1-2H3,(H,19,22).
What are the key properties of 1-acetyl-N-(3-methylpiperidin-4-yl)-2,3-dihydroindole-5-carboxamide?
1-acetyl-N-(3-methylpiperidin-4-yl)-2,3-dihydroindole-5-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(3-methylpiperidin-4-yl)-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 120557717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).