2,3-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]-1H-indole-5-carboxamide

C20H29N3O — CID 20939980

IUPAC2,3-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]-1H-indole-5-carboxamide
SMILESCc1[nH]c2ccc(C(=O)NCCCN3CCCCC3C)cc2c1C
InChIInChI=1S/C20H29N3O/c1-14-7-4-5-11-23(14)12-6-10-21-20(24)17-8-9-19-18(13-17)15(2)16(3)22-19/h8-9,13-14,22H,4-7,10-12H2,1-3H3,(H,21,24)
InChIKeyTUTLXQVNXNEMPR-UHFFFAOYSA-N
MW327.47 g/mol
LogP3.78
Rot. Bonds5

About 2,3-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]-1H-indole-5-carboxamide

2,3-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]-1H-indole-5-carboxamide (PubChem CID 20939980) has the molecular formula C20H29N3O and a molecular weight of 327.47 g/mol. Its IUPAC name is 2,3-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]-1H-indole-5-carboxamide.

Molecular Properties

Compound Name2,3-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]-1H-indole-5-carboxamide
PubChem CID20939980
Molecular FormulaC20H29N3O
Molecular Weight327.47 g/mol
Exact Mass327.23
IUPAC Name2,3-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]-1H-indole-5-carboxamide
SMILESCc1[nH]c2ccc(C(=O)NCCCN3CCCCC3C)cc2c1C
InChIInChI=1S/C20H29N3O/c1-14-7-4-5-11-23(14)12-6-10-21-20(24)17-8-9-19-18(13-17)15(2)16(3)22-19/h8-9,13-14,22H,4-7,10-12H2,1-3H3,(H,21,24)
InChIKeyTUTLXQVNXNEMPR-UHFFFAOYSA-N
XLogP3.78
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]-1H-indole-5-carboxamide?
The IUPAC name of 2,3-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]-1H-indole-5-carboxamide (CID 20939980) is 2,3-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]-1H-indole-5-carboxamide.
What is the SMILES notation for 2,3-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]-1H-indole-5-carboxamide?
The canonical SMILES for 2,3-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]-1H-indole-5-carboxamide is Cc1[nH]c2ccc(C(=O)NCCCN3CCCCC3C)cc2c1C.
What is the InChIKey of 2,3-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]-1H-indole-5-carboxamide?
The InChIKey is TUTLXQVNXNEMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O/c1-14-7-4-5-11-23(14)12-6-10-21-20(24)17-8-9-19-18(13-17)15(2)16(3)22-19/h8-9,13-14,22H,4-7,10-12H2,1-3H3,(H,21,24).
What are the key properties of 2,3-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]-1H-indole-5-carboxamide?
2,3-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]-1H-indole-5-carboxamide has a molecular weight of 327.47 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]-1H-indole-5-carboxamide is sourced from PubChem (CID 20939980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).