2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[[4-(methoxymethyl)phenyl]methyl]acetamide;hydrochloride

C18H30ClN3O2 — CID 120776497

IUPAC2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[[4-(methoxymethyl)phenyl]methyl]acetamide;hydrochloride
SMILESCOCc1ccc(CNC(=O)CN2CCC(N)C(C)(C)C2)cc1.Cl
InChIInChI=1S/C18H29N3O2.ClH/c1-18(2)13-21(9-8-16(18)19)11-17(22)20-10-14-4-6-15(7-5-14)12-23-3;/h4-7,16H,8-13,19H2,1-3H3,(H,20,22);1H
InChIKeyYHDWVVBWLNXLRM-UHFFFAOYSA-N
MW355.91 g/mol
LogP1.93
Rot. Bonds6

About 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[[4-(methoxymethyl)phenyl]methyl]acetamide;hydrochloride

2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[[4-(methoxymethyl)phenyl]methyl]acetamide;hydrochloride (PubChem CID 120776497) has the molecular formula C18H30ClN3O2 and a molecular weight of 355.91 g/mol. Its IUPAC name is 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[[4-(methoxymethyl)phenyl]methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[[4-(methoxymethyl)phenyl]methyl]acetamide;hydrochloride
PubChem CID120776497
Molecular FormulaC18H30ClN3O2
Molecular Weight355.91 g/mol
Exact Mass355.20
IUPAC Name2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[[4-(methoxymethyl)phenyl]methyl]acetamide;hydrochloride
SMILESCOCc1ccc(CNC(=O)CN2CCC(N)C(C)(C)C2)cc1.Cl
InChIInChI=1S/C18H29N3O2.ClH/c1-18(2)13-21(9-8-16(18)19)11-17(22)20-10-14-4-6-15(7-5-14)12-23-3;/h4-7,16H,8-13,19H2,1-3H3,(H,20,22);1H
InChIKeyYHDWVVBWLNXLRM-UHFFFAOYSA-N
XLogP1.93
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.91
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[[4-(phenoxymethyl)phenyl]methyl]acetamide
CID 120774440
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide;hydrochloride
CID 120774148
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide;hydrochloride
CID 120774927
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[(4-propoxyphenyl)methyl]acetamide
CID 120774187
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(cyclopropylmethyl)acetamide;hydrochloride
CID 120774150
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide;hydrochloride
CID 120776717
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(cyclobutylmethyl)acetamide
CID 120774845
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide;hydrochloride
CID 120774996
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide;hydrochloride
CID 120774994
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide
CID 120774997
1-[2-[[4-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 119908548
(2S)-1-[2-[[4-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 119910385

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[[4-(methoxymethyl)phenyl]methyl]acetamide;hydrochloride?
The IUPAC name of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[[4-(methoxymethyl)phenyl]methyl]acetamide;hydrochloride (CID 120776497) is 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[[4-(methoxymethyl)phenyl]methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[[4-(methoxymethyl)phenyl]methyl]acetamide;hydrochloride?
The canonical SMILES for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[[4-(methoxymethyl)phenyl]methyl]acetamide;hydrochloride is COCc1ccc(CNC(=O)CN2CCC(N)C(C)(C)C2)cc1.Cl.
What is the InChIKey of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[[4-(methoxymethyl)phenyl]methyl]acetamide;hydrochloride?
The InChIKey is YHDWVVBWLNXLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2.ClH/c1-18(2)13-21(9-8-16(18)19)11-17(22)20-10-14-4-6-15(7-5-14)12-23-3;/h4-7,16H,8-13,19H2,1-3H3,(H,20,22);1H.
What are the key properties of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[[4-(methoxymethyl)phenyl]methyl]acetamide;hydrochloride?
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[[4-(methoxymethyl)phenyl]methyl]acetamide;hydrochloride has a molecular weight of 355.91 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[[4-(methoxymethyl)phenyl]methyl]acetamide;hydrochloride is sourced from PubChem (CID 120776497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).