N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-4-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]benzamide

C27H35N3O2 — CID 95086408

IUPACN-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-4-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]benzamide
SMILESCC(C)C(=O)N1CCc2cc(-c3ccc(C(=O)NCCN4CCCC[C@@H]4C)cc3)ccc21
InChIInChI=1S/C27H35N3O2/c1-19(2)27(32)30-16-13-24-18-23(11-12-25(24)30)21-7-9-22(10-8-21)26(31)28-14-17-29-15-5-4-6-20(29)3/h7-12,18-20H,4-6,13-17H2,1-3H3,(H,28,31)/t20-/m0/s1
InChIKeyDQHJVSKCESHTMF-FQEVSTJZSA-N
MW433.60 g/mol
LogP4.50
Rot. Bonds6

About N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-4-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]benzamide

N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-4-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]benzamide (PubChem CID 95086408) has the molecular formula C27H35N3O2 and a molecular weight of 433.60 g/mol. Its IUPAC name is N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-4-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]benzamide.

Molecular Properties

Compound NameN-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-4-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]benzamide
PubChem CID95086408
Molecular FormulaC27H35N3O2
Molecular Weight433.60 g/mol
Exact Mass433.27
IUPAC NameN-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-4-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]benzamide
SMILESCC(C)C(=O)N1CCc2cc(-c3ccc(C(=O)NCCN4CCCC[C@@H]4C)cc3)ccc21
InChIInChI=1S/C27H35N3O2/c1-19(2)27(32)30-16-13-24-18-23(11-12-25(24)30)21-7-9-22(10-8-21)26(31)28-14-17-29-15-5-4-6-20(29)3/h7-12,18-20H,4-6,13-17H2,1-3H3,(H,28,31)/t20-/m0/s1
InChIKeyDQHJVSKCESHTMF-FQEVSTJZSA-N
XLogP4.50
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.60
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-4-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-N-(2-morpholin-4-ylethyl)benzamide
CID 53109916
N-(2-piperidin-1-ylethyl)-4-(1-propanoyl-2,3-dihydroindol-5-yl)benzamide
CID 53109848
4-(1-acetyl-2,3-dihydroindol-5-yl)-N-cycloheptylbenzamide
CID 53043799
3-amino-N-[2-(2-methylpiperidin-1-yl)ethyl]benzamide
CID 119850953
4-amino-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 38989093
1-(2-methylpropanoyl)-N-propyl-2,3-dihydroindole-6-carboxamide
CID 50847617
4-bromo-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 7998756
N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)benzamide
CID 95096718
4-cyano-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9472549
2-methyl-1-[5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindol-1-yl]propan-1-one
CID 53109904
4-cyano-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9472553
N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 60668475

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-4-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]benzamide?
The IUPAC name of N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-4-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]benzamide (CID 95086408) is N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-4-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]benzamide.
What is the SMILES notation for N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-4-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]benzamide?
The canonical SMILES for N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-4-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]benzamide is CC(C)C(=O)N1CCc2cc(-c3ccc(C(=O)NCCN4CCCC[C@@H]4C)cc3)ccc21.
What is the InChIKey of N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-4-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]benzamide?
The InChIKey is DQHJVSKCESHTMF-FQEVSTJZSA-N. The full InChI is InChI=1S/C27H35N3O2/c1-19(2)27(32)30-16-13-24-18-23(11-12-25(24)30)21-7-9-22(10-8-21)26(31)28-14-17-29-15-5-4-6-20(29)3/h7-12,18-20H,4-6,13-17H2,1-3H3,(H,28,31)/t20-/m0/s1.
What are the key properties of N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-4-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]benzamide?
N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-4-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]benzamide has a molecular weight of 433.60 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-4-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]benzamide is sourced from PubChem (CID 95086408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).