4-[(5R)-2,5-dimethyl-4,5,6,7-tetrahydroindol-1-yl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide

C26H37N3O — CID 92689322

IUPAC4-[(5R)-2,5-dimethyl-4,5,6,7-tetrahydroindol-1-yl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
SMILESCc1cc2c(n1-c1ccc(C(=O)NCCCN3CCCC[C@@H]3C)cc1)CC[C@@H](C)C2
InChIInChI=1S/C26H37N3O/c1-19-8-13-25-23(17-19)18-21(3)29(25)24-11-9-22(10-12-24)26(30)27-14-6-16-28-15-5-4-7-20(28)2/h9-12,18-20H,4-8,13-17H2,1-3H3,(H,27,30)/t19-,20+/m1/s1
InChIKeyPLSRPPVQVLLGCZ-UXHICEINSA-N
MW407.60 g/mol
LogP4.90
Rot. Bonds6

About 4-[(5R)-2,5-dimethyl-4,5,6,7-tetrahydroindol-1-yl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide

4-[(5R)-2,5-dimethyl-4,5,6,7-tetrahydroindol-1-yl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide (PubChem CID 92689322) has the molecular formula C26H37N3O and a molecular weight of 407.60 g/mol. Its IUPAC name is 4-[(5R)-2,5-dimethyl-4,5,6,7-tetrahydroindol-1-yl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide.

Molecular Properties

Compound Name4-[(5R)-2,5-dimethyl-4,5,6,7-tetrahydroindol-1-yl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
PubChem CID92689322
Molecular FormulaC26H37N3O
Molecular Weight407.60 g/mol
Exact Mass407.29
IUPAC Name4-[(5R)-2,5-dimethyl-4,5,6,7-tetrahydroindol-1-yl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
SMILESCc1cc2c(n1-c1ccc(C(=O)NCCCN3CCCC[C@@H]3C)cc1)CC[C@@H](C)C2
InChIInChI=1S/C26H37N3O/c1-19-8-13-25-23(17-19)18-21(3)29(25)24-11-9-22(10-12-24)26(30)27-14-6-16-28-15-5-4-7-20(28)2/h9-12,18-20H,4-8,13-17H2,1-3H3,(H,27,30)/t19-,20+/m1/s1
InChIKeyPLSRPPVQVLLGCZ-UXHICEINSA-N
XLogP4.90
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.60
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-benzylpiperidin-1-yl)propyl]-4-(2,5-dimethyl-4,5,6,7-tetrahydroindol-1-yl)benzamide
CID 20908865
4-hydroxy-3-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 103956294
N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-4-methylsulfanylbenzamide
CID 9473480
4-amino-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 38989093
4-bromo-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 7998756
N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 60668475
N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-4-methylsulfonylbenzamide
CID 9473048
N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-4-pyrazol-1-ylbenzamide
CID 9473184
3,4-dichloro-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9473209
4-cyano-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9472549
4-cyano-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9472553
4-(2,5-dimethyl-4,5,6,7-tetrahydroindol-1-yl)-N-(2-phenylpropyl)benzamide
CID 20908852

Frequently Asked Questions

What is the IUPAC name of 4-[(5R)-2,5-dimethyl-4,5,6,7-tetrahydroindol-1-yl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide?
The IUPAC name of 4-[(5R)-2,5-dimethyl-4,5,6,7-tetrahydroindol-1-yl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide (CID 92689322) is 4-[(5R)-2,5-dimethyl-4,5,6,7-tetrahydroindol-1-yl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide.
What is the SMILES notation for 4-[(5R)-2,5-dimethyl-4,5,6,7-tetrahydroindol-1-yl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide?
The canonical SMILES for 4-[(5R)-2,5-dimethyl-4,5,6,7-tetrahydroindol-1-yl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide is Cc1cc2c(n1-c1ccc(C(=O)NCCCN3CCCC[C@@H]3C)cc1)CC[C@@H](C)C2.
What is the InChIKey of 4-[(5R)-2,5-dimethyl-4,5,6,7-tetrahydroindol-1-yl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide?
The InChIKey is PLSRPPVQVLLGCZ-UXHICEINSA-N. The full InChI is InChI=1S/C26H37N3O/c1-19-8-13-25-23(17-19)18-21(3)29(25)24-11-9-22(10-12-24)26(30)27-14-6-16-28-15-5-4-7-20(28)2/h9-12,18-20H,4-8,13-17H2,1-3H3,(H,27,30)/t19-,20+/m1/s1.
What are the key properties of 4-[(5R)-2,5-dimethyl-4,5,6,7-tetrahydroindol-1-yl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide?
4-[(5R)-2,5-dimethyl-4,5,6,7-tetrahydroindol-1-yl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide has a molecular weight of 407.60 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5R)-2,5-dimethyl-4,5,6,7-tetrahydroindol-1-yl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide is sourced from PubChem (CID 92689322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).