N-butyl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide

C17H24Cl2N2O — CID 43924214

IUPACN-butyl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
SMILESCCCCNC(=O)C1CCCN(Cc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C17H24Cl2N2O/c1-2-3-8-20-17(22)14-5-4-9-21(12-14)11-13-6-7-15(18)10-16(13)19/h6-7,10,14H,2-5,8-9,11-12H2,1H3,(H,20,22)
InChIKeyRGMLONITCGIAIN-UHFFFAOYSA-N
MW343.30 g/mol
LogP4.12
Rot. Bonds6

About N-butyl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide

N-butyl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide (PubChem CID 43924214) has the molecular formula C17H24Cl2N2O and a molecular weight of 343.30 g/mol. Its IUPAC name is N-butyl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
PubChem CID43924214
Molecular FormulaC17H24Cl2N2O
Molecular Weight343.30 g/mol
Exact Mass342.13
IUPAC NameN-butyl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
SMILESCCCCNC(=O)C1CCCN(Cc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C17H24Cl2N2O/c1-2-3-8-20-17(22)14-5-4-9-21(12-14)11-13-6-7-15(18)10-16(13)19/h6-7,10,14H,2-5,8-9,11-12H2,1H3,(H,20,22)
InChIKeyRGMLONITCGIAIN-UHFFFAOYSA-N
XLogP4.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.30
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-[(2,4-dichlorophenyl)methyl]-N-propylpiperidine-3-carboxamide
CID 93492122
(3S)-1-[(2,4-dichlorophenyl)methyl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 93490238
(3R)-1-[(2,4-dichlorophenyl)methyl]-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide
CID 38103114
(3R)-N-[(2S)-butan-2-yl]-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 93490067
1-[(2,4-dichlorophenyl)methyl]-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 43921064
N-cyclopropyl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43921942
N-benzyl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43918749
N-(2-aminoethyl)-1-[(4-chloro-2-methylphenyl)methyl]piperidine-3-carboxamide
CID 104869329
1-[(2,4-dichlorophenyl)methyl]-N-(4-ethylphenyl)piperidine-3-carboxamide
CID 43920361
(3S)-1-[(2,4-dichlorophenyl)methyl]-N-(4-ethylphenyl)piperidine-3-carboxamide
CID 93490972
1-[(2,4-dichlorophenyl)methyl]-N-(2-ethylphenyl)piperidine-3-carboxamide
CID 43919301
N-(4-chloro-2-methylphenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43921563

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-butyl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide (CID 43924214) is N-butyl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-butyl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-butyl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide is CCCCNC(=O)C1CCCN(Cc2ccc(Cl)cc2Cl)C1.
What is the InChIKey of N-butyl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide?
The InChIKey is RGMLONITCGIAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24Cl2N2O/c1-2-3-8-20-17(22)14-5-4-9-21(12-14)11-13-6-7-15(18)10-16(13)19/h6-7,10,14H,2-5,8-9,11-12H2,1H3,(H,20,22).
What are the key properties of N-butyl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide?
N-butyl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide has a molecular weight of 343.30 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 43924214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).