2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide;hydrochloride

C18H30ClN3O2 — CID 120774994

IUPAC2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide;hydrochloride
SMILESCOc1ccccc1CCNC(=O)CN1CCC(N)C(C)(C)C1.Cl
InChIInChI=1S/C18H29N3O2.ClH/c1-18(2)13-21(11-9-16(18)19)12-17(22)20-10-8-14-6-4-5-7-15(14)23-3;/h4-7,16H,8-13,19H2,1-3H3,(H,20,22);1H
InChIKeyYWASPWPQWQUDHE-UHFFFAOYSA-N
MW355.91 g/mol
LogP1.83
Rot. Bonds6

About 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide;hydrochloride

2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide;hydrochloride (PubChem CID 120774994) 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-[2-(2-methoxyphenyl)ethyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide;hydrochloride
PubChem CID120774994
Molecular FormulaC18H30ClN3O2
Molecular Weight355.91 g/mol
Exact Mass355.20
IUPAC Name2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide;hydrochloride
SMILESCOc1ccccc1CCNC(=O)CN1CCC(N)C(C)(C)C1.Cl
InChIInChI=1S/C18H29N3O2.ClH/c1-18(2)13-21(11-9-16(18)19)12-17(22)20-10-8-14-6-4-5-7-15(14)23-3;/h4-7,16H,8-13,19H2,1-3H3,(H,20,22);1H
InChIKeyYWASPWPQWQUDHE-UHFFFAOYSA-N
XLogP1.83
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 ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxylate
CID 8754699
1-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-N-propylpiperidine-4-carboxamide
CID 134046460
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-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide;hydrochloride
CID 120774996
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(3,4-dimethoxyphenyl)acetamide;hydrochloride
CID 120776425
2-[[2-(4-amino-3,3-dimethylpiperidin-1-yl)acetyl]amino]-N-(2-ethylphenyl)acetamide
CID 120775680
N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 8549824
N-[2-(2-methoxyphenyl)ethyl]-2-(2-methylmorpholin-4-yl)acetamide
CID 134055335
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide
CID 120774997
2-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-N-[2-(2-methylphenyl)ethyl]acetamide
CID 60503424
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide
CID 120775483
N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide
CID 30672521

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide;hydrochloride?
The IUPAC name of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide;hydrochloride (CID 120774994) is 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide;hydrochloride?
The canonical SMILES for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide;hydrochloride is COc1ccccc1CCNC(=O)CN1CCC(N)C(C)(C)C1.Cl.
What is the InChIKey of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide;hydrochloride?
The InChIKey is YWASPWPQWQUDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2.ClH/c1-18(2)13-21(11-9-16(18)19)12-17(22)20-10-8-14-6-4-5-7-15(14)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-[2-(2-methoxyphenyl)ethyl]acetamide;hydrochloride?
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide;hydrochloride has a molecular weight of 355.91 g/mol, XLogP of 1.83, 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-[2-(2-methoxyphenyl)ethyl]acetamide;hydrochloride is sourced from PubChem (CID 120774994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).