N-butyl-1-[3-(2,5-dichloroanilino)-3-oxopropyl]-6-methylpiperidine-3-carboxamide

C20H29Cl2N3O2 — CID 56525948

IUPACN-butyl-1-[3-(2,5-dichloroanilino)-3-oxopropyl]-6-methylpiperidine-3-carboxamide
SMILESCCCCNC(=O)C1CCC(C)N(CCC(=O)Nc2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C20H29Cl2N3O2/c1-3-4-10-23-20(27)15-6-5-14(2)25(13-15)11-9-19(26)24-18-12-16(21)7-8-17(18)22/h7-8,12,14-15H,3-6,9-11,13H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyLHUWPZFSBXCRKB-UHFFFAOYSA-N
MW414.38 g/mol
LogP4.34
Rot. Bonds8

About N-butyl-1-[3-(2,5-dichloroanilino)-3-oxopropyl]-6-methylpiperidine-3-carboxamide

N-butyl-1-[3-(2,5-dichloroanilino)-3-oxopropyl]-6-methylpiperidine-3-carboxamide (PubChem CID 56525948) has the molecular formula C20H29Cl2N3O2 and a molecular weight of 414.38 g/mol. Its IUPAC name is N-butyl-1-[3-(2,5-dichloroanilino)-3-oxopropyl]-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-1-[3-(2,5-dichloroanilino)-3-oxopropyl]-6-methylpiperidine-3-carboxamide
PubChem CID56525948
Molecular FormulaC20H29Cl2N3O2
Molecular Weight414.38 g/mol
Exact Mass413.16
IUPAC NameN-butyl-1-[3-(2,5-dichloroanilino)-3-oxopropyl]-6-methylpiperidine-3-carboxamide
SMILESCCCCNC(=O)C1CCC(C)N(CCC(=O)Nc2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C20H29Cl2N3O2/c1-3-4-10-23-20(27)15-6-5-14(2)25(13-15)11-9-19(26)24-18-12-16(21)7-8-17(18)22/h7-8,12,14-15H,3-6,9-11,13H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyLHUWPZFSBXCRKB-UHFFFAOYSA-N
XLogP4.34
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.38
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,5-dichlorophenyl)hexanamide
CID 5055577
N-(2,5-dichlorophenyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide
CID 102788769
N-(2,5-dichlorophenyl)heptanamide
CID 3294645
N-(2,5-dichlorophenyl)-3-(2-methylpiperazin-1-yl)propanamide;hydrochloride
CID 119916621
(3R,6S)-N-butyl-6-methyl-1-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperidine-3-carboxamide
CID 97314165
N-(2,5-dichlorophenyl)-3-[3-(methylaminomethyl)pyrrolidin-1-yl]propanamide
CID 63263797
1-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 55988353
1-[3-(2,5-dichloroanilino)-3-oxopropyl]-N-(3-methylbutan-2-yl)piperidine-4-carboxamide
CID 56526511
N-(2,5-dichlorophenyl)-3-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide
CID 78962492
N-(2-amino-5-chlorophenyl)-3-(2-methylpyrrolidin-1-yl)propanamide
CID 54882013
4-N-(4-chloro-2-methylphenyl)-1-N-pentylcyclohexane-1,4-dicarboxamide
CID 109149846
N-butyl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43924214

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-[3-(2,5-dichloroanilino)-3-oxopropyl]-6-methylpiperidine-3-carboxamide?
The IUPAC name of N-butyl-1-[3-(2,5-dichloroanilino)-3-oxopropyl]-6-methylpiperidine-3-carboxamide (CID 56525948) is N-butyl-1-[3-(2,5-dichloroanilino)-3-oxopropyl]-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for N-butyl-1-[3-(2,5-dichloroanilino)-3-oxopropyl]-6-methylpiperidine-3-carboxamide?
The canonical SMILES for N-butyl-1-[3-(2,5-dichloroanilino)-3-oxopropyl]-6-methylpiperidine-3-carboxamide is CCCCNC(=O)C1CCC(C)N(CCC(=O)Nc2cc(Cl)ccc2Cl)C1.
What is the InChIKey of N-butyl-1-[3-(2,5-dichloroanilino)-3-oxopropyl]-6-methylpiperidine-3-carboxamide?
The InChIKey is LHUWPZFSBXCRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29Cl2N3O2/c1-3-4-10-23-20(27)15-6-5-14(2)25(13-15)11-9-19(26)24-18-12-16(21)7-8-17(18)22/h7-8,12,14-15H,3-6,9-11,13H2,1-2H3,(H,23,27)(H,24,26).
What are the key properties of N-butyl-1-[3-(2,5-dichloroanilino)-3-oxopropyl]-6-methylpiperidine-3-carboxamide?
N-butyl-1-[3-(2,5-dichloroanilino)-3-oxopropyl]-6-methylpiperidine-3-carboxamide has a molecular weight of 414.38 g/mol, XLogP of 4.34, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-[3-(2,5-dichloroanilino)-3-oxopropyl]-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 56525948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).