1-[(2,6-dichlorophenyl)methyl]-N-(3-methoxypropyl)piperidine-3-carboxamide

C17H24Cl2N2O2 — CID 43918890

IUPAC1-[(2,6-dichlorophenyl)methyl]-N-(3-methoxypropyl)piperidine-3-carboxamide
SMILESCOCCCNC(=O)C1CCCN(Cc2c(Cl)cccc2Cl)C1
InChIInChI=1S/C17H24Cl2N2O2/c1-23-10-4-8-20-17(22)13-5-3-9-21(11-13)12-14-15(18)6-2-7-16(14)19/h2,6-7,13H,3-5,8-12H2,1H3,(H,20,22)
InChIKeyPARLAAFFLVEUAQ-UHFFFAOYSA-N
MW359.30 g/mol
LogP3.36
Rot. Bonds7

About 1-[(2,6-dichlorophenyl)methyl]-N-(3-methoxypropyl)piperidine-3-carboxamide

1-[(2,6-dichlorophenyl)methyl]-N-(3-methoxypropyl)piperidine-3-carboxamide (PubChem CID 43918890) has the molecular formula C17H24Cl2N2O2 and a molecular weight of 359.30 g/mol. Its IUPAC name is 1-[(2,6-dichlorophenyl)methyl]-N-(3-methoxypropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2,6-dichlorophenyl)methyl]-N-(3-methoxypropyl)piperidine-3-carboxamide
PubChem CID43918890
Molecular FormulaC17H24Cl2N2O2
Molecular Weight359.30 g/mol
Exact Mass358.12
IUPAC Name1-[(2,6-dichlorophenyl)methyl]-N-(3-methoxypropyl)piperidine-3-carboxamide
SMILESCOCCCNC(=O)C1CCCN(Cc2c(Cl)cccc2Cl)C1
InChIInChI=1S/C17H24Cl2N2O2/c1-23-10-4-8-20-17(22)13-5-3-9-21(11-13)12-14-15(18)6-2-7-16(14)19/h2,6-7,13H,3-5,8-12H2,1H3,(H,20,22)
InChIKeyPARLAAFFLVEUAQ-UHFFFAOYSA-N
XLogP3.36
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.30
LogP ≤ 53.36
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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Related Compounds

(3R)-1-[(2,6-dichlorophenyl)methyl]-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide
CID 93492205
N-(2-aminoethyl)-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119916674
(3S)-1-[(2,6-dichlorophenyl)methyl]-N-[(2,6-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 100778330
1-[(2,6-dichlorophenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 43918333
1-[(2,6-dichlorophenyl)methyl]-N-(2-phenylsulfanylethyl)piperidine-3-carboxamide
CID 43920631
(3R)-1-[(2,6-dichlorophenyl)methyl]-N-propan-2-ylpiperidine-3-carboxamide
CID 93490056
(3R)-N-tert-butyl-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 93490092
1-[(2,6-dichlorophenyl)methyl]-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 43919691
(3R)-N-[2-(cyclohexen-1-yl)ethyl]-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 93491780
(3S)-N-[2-(cyclohexen-1-yl)ethyl]-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 93491779
(3R)-1-[(2,6-dichlorophenyl)methyl]-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
CID 93492247
1-[(2,6-dichlorophenyl)methyl]-N-phenylpiperidine-3-carboxamide
CID 43918962

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-N-(3-methoxypropyl)piperidine-3-carboxamide?
The IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-N-(3-methoxypropyl)piperidine-3-carboxamide (CID 43918890) is 1-[(2,6-dichlorophenyl)methyl]-N-(3-methoxypropyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[(2,6-dichlorophenyl)methyl]-N-(3-methoxypropyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[(2,6-dichlorophenyl)methyl]-N-(3-methoxypropyl)piperidine-3-carboxamide is COCCCNC(=O)C1CCCN(Cc2c(Cl)cccc2Cl)C1.
What is the InChIKey of 1-[(2,6-dichlorophenyl)methyl]-N-(3-methoxypropyl)piperidine-3-carboxamide?
The InChIKey is PARLAAFFLVEUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24Cl2N2O2/c1-23-10-4-8-20-17(22)13-5-3-9-21(11-13)12-14-15(18)6-2-7-16(14)19/h2,6-7,13H,3-5,8-12H2,1H3,(H,20,22).
What are the key properties of 1-[(2,6-dichlorophenyl)methyl]-N-(3-methoxypropyl)piperidine-3-carboxamide?
1-[(2,6-dichlorophenyl)methyl]-N-(3-methoxypropyl)piperidine-3-carboxamide has a molecular weight of 359.30 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dichlorophenyl)methyl]-N-(3-methoxypropyl)piperidine-3-carboxamide is sourced from PubChem (CID 43918890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).