N-[(4-chlorophenoxy)methyl]-2,6-dimethylpiperidine-1-carboxamide

C15H21ClN2O2 — CID 108885242

IUPACN-[(4-chlorophenoxy)methyl]-2,6-dimethylpiperidine-1-carboxamide
SMILESCC1CCCC(C)N1C(=O)NCOc1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O2/c1-11-4-3-5-12(2)18(11)15(19)17-10-20-14-8-6-13(16)7-9-14/h6-9,11-12H,3-5,10H2,1-2H3,(H,17,19)
InChIKeyTVCOSKJCDMPNNB-UHFFFAOYSA-N
MW296.80 g/mol
LogP3.65
Rot. Bonds3

About N-[(4-chlorophenoxy)methyl]-2,6-dimethylpiperidine-1-carboxamide

N-[(4-chlorophenoxy)methyl]-2,6-dimethylpiperidine-1-carboxamide (PubChem CID 108885242) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is N-[(4-chlorophenoxy)methyl]-2,6-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenoxy)methyl]-2,6-dimethylpiperidine-1-carboxamide
PubChem CID108885242
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC NameN-[(4-chlorophenoxy)methyl]-2,6-dimethylpiperidine-1-carboxamide
SMILESCC1CCCC(C)N1C(=O)NCOc1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O2/c1-11-4-3-5-12(2)18(11)15(19)17-10-20-14-8-6-13(16)7-9-14/h6-9,11-12H,3-5,10H2,1-2H3,(H,17,19)
InChIKeyTVCOSKJCDMPNNB-UHFFFAOYSA-N
XLogP3.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[(4-chlorophenoxy)methyl]-3,5-dimethylpiperidine-1-carboxamide
CID 108885205
N-(methoxymethyl)-2,6-dimethylpiperidine-1-carboxamide
CID 110675943
N-[2-(4-methoxyphenyl)ethyl]-2,6-dimethylpiperidine-1-carboxamide
CID 108901943
N-[(3-chlorophenyl)methyl]-2,6-dimethylpiperidine-1-carboxamide
CID 108898698
2-(4-chlorophenoxy)-1-[(2S,6S)-2-methyl-6-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone
CID 67916756
N-[(4-chlorophenyl)methyl]-2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetamide
CID 108507737
(4-chlorophenoxy)methylcarbamothioic S-acid
CID 88825777
N-benzyl-2,6-dimethylpiperidine-1-carboxamide
CID 110755036
(2R,6R)-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-2,6-dimethylpiperidine-1-carboxamide
CID 97333276
N'-[2-(4-chlorophenoxy)acetyl]-2-[(2S)-2-methylpiperidin-1-yl]acetohydrazide
CID 8549897
(2S,6S)-N-(4-chloro-2-fluorophenyl)-2,6-dimethylpiperidine-1-carboxamide
CID 29056416
methyl 2-[(2,6-dimethylpiperidine-1-carbonyl)amino]acetate
CID 127581766

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenoxy)methyl]-2,6-dimethylpiperidine-1-carboxamide?
The IUPAC name of N-[(4-chlorophenoxy)methyl]-2,6-dimethylpiperidine-1-carboxamide (CID 108885242) is N-[(4-chlorophenoxy)methyl]-2,6-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for N-[(4-chlorophenoxy)methyl]-2,6-dimethylpiperidine-1-carboxamide?
The canonical SMILES for N-[(4-chlorophenoxy)methyl]-2,6-dimethylpiperidine-1-carboxamide is CC1CCCC(C)N1C(=O)NCOc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenoxy)methyl]-2,6-dimethylpiperidine-1-carboxamide?
The InChIKey is TVCOSKJCDMPNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-11-4-3-5-12(2)18(11)15(19)17-10-20-14-8-6-13(16)7-9-14/h6-9,11-12H,3-5,10H2,1-2H3,(H,17,19).
What are the key properties of N-[(4-chlorophenoxy)methyl]-2,6-dimethylpiperidine-1-carboxamide?
N-[(4-chlorophenoxy)methyl]-2,6-dimethylpiperidine-1-carboxamide has a molecular weight of 296.80 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenoxy)methyl]-2,6-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 108885242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).