3-(3-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide

C19H29ClN2O2 — CID 120888763

IUPAC3-(3-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide
SMILESCOCC1(CNC(=O)C(C)(C)Cc2cccc(Cl)c2)CCNCC1
InChIInChI=1S/C19H29ClN2O2/c1-18(2,12-15-5-4-6-16(20)11-15)17(23)22-13-19(14-24-3)7-9-21-10-8-19/h4-6,11,21H,7-10,12-14H2,1-3H3,(H,22,23)
InChIKeyVJHZVWDFFNDMBD-UHFFFAOYSA-N
MW352.91 g/mol
LogP3.04
Rot. Bonds7

About 3-(3-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide

3-(3-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide (PubChem CID 120888763) has the molecular formula C19H29ClN2O2 and a molecular weight of 352.91 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide
PubChem CID120888763
Molecular FormulaC19H29ClN2O2
Molecular Weight352.91 g/mol
Exact Mass352.19
IUPAC Name3-(3-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide
SMILESCOCC1(CNC(=O)C(C)(C)Cc2cccc(Cl)c2)CCNCC1
InChIInChI=1S/C19H29ClN2O2/c1-18(2,12-15-5-4-6-16(20)11-15)17(23)22-13-19(14-24-3)7-9-21-10-8-19/h4-6,11,21H,7-10,12-14H2,1-3H3,(H,22,23)
InChIKeyVJHZVWDFFNDMBD-UHFFFAOYSA-N
XLogP3.04
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.91
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chlorophenyl)-N-[[(3S)-3-hydroxythiolan-3-yl]methyl]-2,2-dimethylpropanamide
CID 97028633
2-(4-chlorophenyl)-2-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]butanamide;hydrochloride
CID 120890396
2-(4-ethylphenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylpropanamide
CID 120891055
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 120888355
2,2-difluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenylacetamide
CID 120888865
N-[2-(3-chlorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120618096
5-(3-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylthiophene-2-carboxamide
CID 120888783
3-(3-bromophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide
CID 120891255
5-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-benzofuran-2-carboxamide;hydrochloride
CID 120890544
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methyl-3-phenylbutanamide
CID 120888204
2-(5-chloro-2-methoxyphenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120891160
2-chloro-6-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
CID 120891144

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide?
The IUPAC name of 3-(3-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide (CID 120888763) is 3-(3-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-(3-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide?
The canonical SMILES for 3-(3-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide is COCC1(CNC(=O)C(C)(C)Cc2cccc(Cl)c2)CCNCC1.
What is the InChIKey of 3-(3-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide?
The InChIKey is VJHZVWDFFNDMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29ClN2O2/c1-18(2,12-15-5-4-6-16(20)11-15)17(23)22-13-19(14-24-3)7-9-21-10-8-19/h4-6,11,21H,7-10,12-14H2,1-3H3,(H,22,23).
What are the key properties of 3-(3-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide?
3-(3-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide has a molecular weight of 352.91 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 120888763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).