4-(methoxymethyl)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide;hydrochloride

C19H31ClN2O2 — CID 120617386

IUPAC4-(methoxymethyl)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
SMILESCOCC1(C(=O)N(C)Cc2ccc(C(C)C)cc2)CCNCC1.Cl
InChIInChI=1S/C19H30N2O2.ClH/c1-15(2)17-7-5-16(6-8-17)13-21(3)18(22)19(14-23-4)9-11-20-12-10-19;/h5-8,15,20H,9-14H2,1-4H3;1H
InChIKeyRFLQAEVHMNICFT-UHFFFAOYSA-N
MW354.92 g/mol
LogP3.21
Rot. Bonds6

About 4-(methoxymethyl)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide;hydrochloride

4-(methoxymethyl)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 120617386) has the molecular formula C19H31ClN2O2 and a molecular weight of 354.92 g/mol. Its IUPAC name is 4-(methoxymethyl)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(methoxymethyl)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
PubChem CID120617386
Molecular FormulaC19H31ClN2O2
Molecular Weight354.92 g/mol
Exact Mass354.21
IUPAC Name4-(methoxymethyl)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
SMILESCOCC1(C(=O)N(C)Cc2ccc(C(C)C)cc2)CCNCC1.Cl
InChIInChI=1S/C19H30N2O2.ClH/c1-15(2)17-7-5-16(6-8-17)13-21(3)18(22)19(14-23-4)9-11-20-12-10-19;/h5-8,15,20H,9-14H2,1-4H3;1H
InChIKeyRFLQAEVHMNICFT-UHFFFAOYSA-N
XLogP3.21
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.92
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(methoxymethyl)-N-methyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide;hydrochloride
CID 120636712
N-[(3-hydroxy-4-methoxyphenyl)methyl]-4-(methoxymethyl)-N-methylpiperidine-4-carboxamide;hydrochloride
CID 120625054
1-amino-N-methyl-N-[(4-propan-2-ylphenyl)methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119681945
N,3-dimethyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 63131135
N-(2,2-dimethylpropyl)-4-(methoxymethyl)-N-methylpiperidine-4-carboxamide;hydrochloride
CID 120624655
N-[(4-fluorophenyl)methyl]-N-methyl-4-propylpiperidine-4-carboxamide
CID 63128063
4-(methoxymethyl)-4-(4-propan-2-ylphenyl)piperidine
CID 82480025
N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-4-(methoxymethyl)-N-methylpiperidine-4-carboxamide
CID 120635543
N-[(3,4-dichlorophenyl)methyl]-N-ethyl-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120624881
methyl N-methyl-N-[(4-propan-2-ylphenyl)methyl]carbamate
CID 115190583
2-[[4-(methoxymethyl)piperidine-4-carbonyl]-methylamino]propanoic acid
CID 114042027
N-[(4-ethylphenyl)methyl]-4-methoxy-N-methylpiperidine-4-carboxamide
CID 119681307

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of 4-(methoxymethyl)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide;hydrochloride (CID 120617386) is 4-(methoxymethyl)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-(methoxymethyl)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 4-(methoxymethyl)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide;hydrochloride is COCC1(C(=O)N(C)Cc2ccc(C(C)C)cc2)CCNCC1.Cl.
What is the InChIKey of 4-(methoxymethyl)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is RFLQAEVHMNICFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2.ClH/c1-15(2)17-7-5-16(6-8-17)13-21(3)18(22)19(14-23-4)9-11-20-12-10-19;/h5-8,15,20H,9-14H2,1-4H3;1H.
What are the key properties of 4-(methoxymethyl)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide;hydrochloride?
4-(methoxymethyl)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 354.92 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120617386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).