N-butyl-1-(3-chloro-1-methylindole-2-carbonyl)piperidine-4-carboxamide

C20H26ClN3O2 — CID 86829245

IUPACN-butyl-1-(3-chloro-1-methylindole-2-carbonyl)piperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(C(=O)c2c(Cl)c3ccccc3n2C)CC1
InChIInChI=1S/C20H26ClN3O2/c1-3-4-11-22-19(25)14-9-12-24(13-10-14)20(26)18-17(21)15-7-5-6-8-16(15)23(18)2/h5-8,14H,3-4,9-13H2,1-2H3,(H,22,25)
InChIKeyAETMUDKWJBFZGP-UHFFFAOYSA-N
MW375.90 g/mol
LogP3.60
Rot. Bonds5

About N-butyl-1-(3-chloro-1-methylindole-2-carbonyl)piperidine-4-carboxamide

N-butyl-1-(3-chloro-1-methylindole-2-carbonyl)piperidine-4-carboxamide (PubChem CID 86829245) has the molecular formula C20H26ClN3O2 and a molecular weight of 375.90 g/mol. Its IUPAC name is N-butyl-1-(3-chloro-1-methylindole-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-1-(3-chloro-1-methylindole-2-carbonyl)piperidine-4-carboxamide
PubChem CID86829245
Molecular FormulaC20H26ClN3O2
Molecular Weight375.90 g/mol
Exact Mass375.17
IUPAC NameN-butyl-1-(3-chloro-1-methylindole-2-carbonyl)piperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(C(=O)c2c(Cl)c3ccccc3n2C)CC1
InChIInChI=1S/C20H26ClN3O2/c1-3-4-11-22-19(25)14-9-12-24(13-10-14)20(26)18-17(21)15-7-5-6-8-16(15)23(18)2/h5-8,14H,3-4,9-13H2,1-2H3,(H,22,25)
InChIKeyAETMUDKWJBFZGP-UHFFFAOYSA-N
XLogP3.60
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.90
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-1-(3-chloro-1-methylindole-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-butyl-1-(3-chloro-1-methylindole-2-carbonyl)piperidine-4-carboxamide (CID 86829245) is N-butyl-1-(3-chloro-1-methylindole-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-butyl-1-(3-chloro-1-methylindole-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-butyl-1-(3-chloro-1-methylindole-2-carbonyl)piperidine-4-carboxamide is CCCCNC(=O)C1CCN(C(=O)c2c(Cl)c3ccccc3n2C)CC1.
What is the InChIKey of N-butyl-1-(3-chloro-1-methylindole-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is AETMUDKWJBFZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3O2/c1-3-4-11-22-19(25)14-9-12-24(13-10-14)20(26)18-17(21)15-7-5-6-8-16(15)23(18)2/h5-8,14H,3-4,9-13H2,1-2H3,(H,22,25).
What are the key properties of N-butyl-1-(3-chloro-1-methylindole-2-carbonyl)piperidine-4-carboxamide?
N-butyl-1-(3-chloro-1-methylindole-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 375.90 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-(3-chloro-1-methylindole-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 86829245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).