N-[2-(2-chlorophenyl)-2-methylpropyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride

C18H28Cl2N2O2 — CID 120630764

IUPACN-[2-(2-chlorophenyl)-2-methylpropyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
SMILESCOCC1(C(=O)NCC(C)(C)c2ccccc2Cl)CCNCC1.Cl
InChIInChI=1S/C18H27ClN2O2.ClH/c1-17(2,14-6-4-5-7-15(14)19)12-21-16(22)18(13-23-3)8-10-20-11-9-18;/h4-7,20H,8-13H2,1-3H3,(H,21,22);1H
InChIKeyOVSVGXGNJVLBBS-UHFFFAOYSA-N
MW375.34 g/mol
LogP3.17
Rot. Bonds6

About N-[2-(2-chlorophenyl)-2-methylpropyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride

N-[2-(2-chlorophenyl)-2-methylpropyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 120630764) has the molecular formula C18H28Cl2N2O2 and a molecular weight of 375.34 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-methylpropyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-methylpropyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
PubChem CID120630764
Molecular FormulaC18H28Cl2N2O2
Molecular Weight375.34 g/mol
Exact Mass374.15
IUPAC NameN-[2-(2-chlorophenyl)-2-methylpropyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
SMILESCOCC1(C(=O)NCC(C)(C)c2ccccc2Cl)CCNCC1.Cl
InChIInChI=1S/C18H27ClN2O2.ClH/c1-17(2,14-6-4-5-7-15(14)19)12-21-16(22)18(13-23-3)8-10-20-11-9-18;/h4-7,20H,8-13H2,1-3H3,(H,21,22);1H
InChIKeyOVSVGXGNJVLBBS-UHFFFAOYSA-N
XLogP3.17
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.34
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2-methylpropyl)-4-(methoxymethyl)piperidine-4-carboxamide
CID 114042041
N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120635556
N-[2-(3-fluorophenyl)-2-methylpropyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120634720
N-[2-(2,6-dichlorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120625301
N-benzyl-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120616012
4-(methoxymethyl)-N-(2,2,3,3-tetrafluoropropyl)piperidine-4-carboxamide
CID 106291735
N-ethyl-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120616337
4-(methoxymethyl)-N-(2-phenoxyethyl)piperidine-4-carboxamide;hydrochloride
CID 120617692
4-(methoxymethyl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120618108
N-[(2-bromophenyl)methyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120620352
N-[2-(2-chlorophenyl)-2-methylpropyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119773052
N-(2-anilino-2-oxoethyl)-4-(methoxymethyl)piperidine-4-carboxamide
CID 120624225

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-methylpropyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[2-(2-chlorophenyl)-2-methylpropyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride (CID 120630764) is N-[2-(2-chlorophenyl)-2-methylpropyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-methylpropyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-methylpropyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride is COCC1(C(=O)NCC(C)(C)c2ccccc2Cl)CCNCC1.Cl.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-methylpropyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is OVSVGXGNJVLBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2O2.ClH/c1-17(2,14-6-4-5-7-15(14)19)12-21-16(22)18(13-23-3)8-10-20-11-9-18;/h4-7,20H,8-13H2,1-3H3,(H,21,22);1H.
What are the key properties of N-[2-(2-chlorophenyl)-2-methylpropyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
N-[2-(2-chlorophenyl)-2-methylpropyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 375.34 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-methylpropyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120630764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).