N-[(4-chlorophenoxy)methyl]-3,5-dimethylpiperidine-1-carboxamide

C15H21ClN2O2 — CID 108885205

IUPACN-[(4-chlorophenoxy)methyl]-3,5-dimethylpiperidine-1-carboxamide
SMILESCC1CC(C)CN(C(=O)NCOc2ccc(Cl)cc2)C1
InChIInChI=1S/C15H21ClN2O2/c1-11-7-12(2)9-18(8-11)15(19)17-10-20-14-5-3-13(16)4-6-14/h3-6,11-12H,7-10H2,1-2H3,(H,17,19)
InChIKeyFJMBTTCYRMOKJH-UHFFFAOYSA-N
MW296.80 g/mol
LogP3.36
Rot. Bonds3

About N-[(4-chlorophenoxy)methyl]-3,5-dimethylpiperidine-1-carboxamide

N-[(4-chlorophenoxy)methyl]-3,5-dimethylpiperidine-1-carboxamide (PubChem CID 108885205) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is N-[(4-chlorophenoxy)methyl]-3,5-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenoxy)methyl]-3,5-dimethylpiperidine-1-carboxamide
PubChem CID108885205
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC NameN-[(4-chlorophenoxy)methyl]-3,5-dimethylpiperidine-1-carboxamide
SMILESCC1CC(C)CN(C(=O)NCOc2ccc(Cl)cc2)C1
InChIInChI=1S/C15H21ClN2O2/c1-11-7-12(2)9-18(8-11)15(19)17-10-20-14-5-3-13(16)4-6-14/h3-6,11-12H,7-10H2,1-2H3,(H,17,19)
InChIKeyFJMBTTCYRMOKJH-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
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-ethoxyphenoxy)methyl]-3,5-dimethylpiperidine-1-carboxamide
CID 108890746
3,5-dimethyl-N-[(4-methylphenoxy)methyl]piperidine-1-carboxamide
CID 108892936
N-[(4-chlorophenoxy)methyl]-2,6-dimethylpiperidine-1-carboxamide
CID 108885242
N-[(4-chlorophenoxy)methyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108885377
N-[(2-chlorophenyl)methyl]-3,5-dimethylpiperidine-1-carboxamide
CID 108897666
(4-chlorophenoxy)methylcarbamothioic S-acid
CID 88825777
N-[2-(2-fluorophenyl)ethyl]-3,5-dimethylpiperidine-1-carboxamide
CID 108900039
N-[2-(3,5-dimethylphenoxy)ethyl]-3,5-dimethylpiperidine-1-carboxamide
CID 60577700
1-(3,5-dimethylpiperidin-1-yl)-2-(4-propan-2-ylphenoxy)ethanone
CID 112778015
2-[[5-[(4-chlorophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 112785226
2-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethanone
CID 2155842
N-[2-(4-chlorophenoxy)ethyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111437978

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenoxy)methyl]-3,5-dimethylpiperidine-1-carboxamide?
The IUPAC name of N-[(4-chlorophenoxy)methyl]-3,5-dimethylpiperidine-1-carboxamide (CID 108885205) is N-[(4-chlorophenoxy)methyl]-3,5-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for N-[(4-chlorophenoxy)methyl]-3,5-dimethylpiperidine-1-carboxamide?
The canonical SMILES for N-[(4-chlorophenoxy)methyl]-3,5-dimethylpiperidine-1-carboxamide is CC1CC(C)CN(C(=O)NCOc2ccc(Cl)cc2)C1.
What is the InChIKey of N-[(4-chlorophenoxy)methyl]-3,5-dimethylpiperidine-1-carboxamide?
The InChIKey is FJMBTTCYRMOKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-11-7-12(2)9-18(8-11)15(19)17-10-20-14-5-3-13(16)4-6-14/h3-6,11-12H,7-10H2,1-2H3,(H,17,19).
What are the key properties of N-[(4-chlorophenoxy)methyl]-3,5-dimethylpiperidine-1-carboxamide?
N-[(4-chlorophenoxy)methyl]-3,5-dimethylpiperidine-1-carboxamide has a molecular weight of 296.80 g/mol, XLogP of 3.36, 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]-3,5-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 108885205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).