(4S)-N-[(2,4-dichlorophenyl)methyl]-4-hydroxy-4-(methoxymethyl)-3,3-dimethylpiperidine-1-carboxamide

C17H24Cl2N2O3 — CID 72854525

IUPAC(4S)-N-[(2,4-dichlorophenyl)methyl]-4-hydroxy-4-(methoxymethyl)-3,3-dimethylpiperidine-1-carboxamide
SMILESCOC[C@]1(O)CCN(C(=O)NCc2ccc(Cl)cc2Cl)CC1(C)C
InChIInChI=1S/C17H24Cl2N2O3/c1-16(2)10-21(7-6-17(16,23)11-24-3)15(22)20-9-12-4-5-13(18)8-14(12)19/h4-5,8,23H,6-7,9-11H2,1-3H3,(H,20,22)/t17-/m1/s1
InChIKeyIMLRQMUGKBBORI-QGZVFWFLSA-N
MW375.30 g/mol
LogP3.31
Rot. Bonds4

About (4S)-N-[(2,4-dichlorophenyl)methyl]-4-hydroxy-4-(methoxymethyl)-3,3-dimethylpiperidine-1-carboxamide

(4S)-N-[(2,4-dichlorophenyl)methyl]-4-hydroxy-4-(methoxymethyl)-3,3-dimethylpiperidine-1-carboxamide (PubChem CID 72854525) has the molecular formula C17H24Cl2N2O3 and a molecular weight of 375.30 g/mol. Its IUPAC name is (4S)-N-[(2,4-dichlorophenyl)methyl]-4-hydroxy-4-(methoxymethyl)-3,3-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(4S)-N-[(2,4-dichlorophenyl)methyl]-4-hydroxy-4-(methoxymethyl)-3,3-dimethylpiperidine-1-carboxamide
PubChem CID72854525
Molecular FormulaC17H24Cl2N2O3
Molecular Weight375.30 g/mol
Exact Mass374.12
IUPAC Name(4S)-N-[(2,4-dichlorophenyl)methyl]-4-hydroxy-4-(methoxymethyl)-3,3-dimethylpiperidine-1-carboxamide
SMILESCOC[C@]1(O)CCN(C(=O)NCc2ccc(Cl)cc2Cl)CC1(C)C
InChIInChI=1S/C17H24Cl2N2O3/c1-16(2)10-21(7-6-17(16,23)11-24-3)15(22)20-9-12-4-5-13(18)8-14(12)19/h4-5,8,23H,6-7,9-11H2,1-3H3,(H,20,22)/t17-/m1/s1
InChIKeyIMLRQMUGKBBORI-QGZVFWFLSA-N
XLogP3.31
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.30
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (4S)-N-[(2,4-dichlorophenyl)methyl]-4-hydroxy-4-(methoxymethyl)-3,3-dimethylpiperidine-1-carboxamide with MolForge

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Related Compounds

2-(2-chloro-4-fluorophenyl)-1-[(4S)-4-hydroxy-4-(methoxymethyl)-3,3-dimethylpiperidin-1-yl]ethanone
CID 70714801
(1S,3R)-N-[(2,4-dichlorophenyl)methyl]-1,3-dihydroxy-7-azaspiro[3.5]nonane-7-carboxamide
CID 72912147
1-[(4-chloro-2-fluorophenyl)methyl]-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol
CID 156606525
1-[(4-chloro-2-fluorophenyl)methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122010820
(4R)-N-[(4-chlorophenyl)methyl]-4-hydroxy-3,3,4-trimethylpiperidine-1-carboxamide
CID 133125563
N-[(2,4-dichlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 8896722
N-[(5-chloro-2-methoxyphenyl)methyl]-2,2-dimethylmorpholine-4-carboxamide
CID 78892218
6-benzoyl-N-[(2,4-dichlorophenyl)methyl]-2,6-diazaspiro[3.3]heptane-2-carboxamide
CID 71554897
1-[(4S)-4-hydroxy-4-(methoxymethyl)-3,3-dimethylpiperidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 72903184
4-(4-chlorophenoxy)-N-[(2,4-dichlorophenyl)methyl]piperidine-1-carboxamide
CID 24748603
N-[4-[(2,4-dichlorophenyl)methylcarbamoylamino]phenyl]-2-methoxyacetamide
CID 55697658
1-[(2,4-dichlorophenyl)methyl]-3-(2-hydroxy-3-methoxypropyl)urea
CID 111426624

Frequently Asked Questions

What is the IUPAC name of (4S)-N-[(2,4-dichlorophenyl)methyl]-4-hydroxy-4-(methoxymethyl)-3,3-dimethylpiperidine-1-carboxamide?
The IUPAC name of (4S)-N-[(2,4-dichlorophenyl)methyl]-4-hydroxy-4-(methoxymethyl)-3,3-dimethylpiperidine-1-carboxamide (CID 72854525) is (4S)-N-[(2,4-dichlorophenyl)methyl]-4-hydroxy-4-(methoxymethyl)-3,3-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for (4S)-N-[(2,4-dichlorophenyl)methyl]-4-hydroxy-4-(methoxymethyl)-3,3-dimethylpiperidine-1-carboxamide?
The canonical SMILES for (4S)-N-[(2,4-dichlorophenyl)methyl]-4-hydroxy-4-(methoxymethyl)-3,3-dimethylpiperidine-1-carboxamide is COC[C@]1(O)CCN(C(=O)NCc2ccc(Cl)cc2Cl)CC1(C)C.
What is the InChIKey of (4S)-N-[(2,4-dichlorophenyl)methyl]-4-hydroxy-4-(methoxymethyl)-3,3-dimethylpiperidine-1-carboxamide?
The InChIKey is IMLRQMUGKBBORI-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H24Cl2N2O3/c1-16(2)10-21(7-6-17(16,23)11-24-3)15(22)20-9-12-4-5-13(18)8-14(12)19/h4-5,8,23H,6-7,9-11H2,1-3H3,(H,20,22)/t17-/m1/s1.
What are the key properties of (4S)-N-[(2,4-dichlorophenyl)methyl]-4-hydroxy-4-(methoxymethyl)-3,3-dimethylpiperidine-1-carboxamide?
(4S)-N-[(2,4-dichlorophenyl)methyl]-4-hydroxy-4-(methoxymethyl)-3,3-dimethylpiperidine-1-carboxamide has a molecular weight of 375.30 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[(2,4-dichlorophenyl)methyl]-4-hydroxy-4-(methoxymethyl)-3,3-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 72854525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).