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

C23H31N3O2 — CID 120774440

IUPAC2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[[4-(phenoxymethyl)phenyl]methyl]acetamide
SMILESCC1(C)CN(CC(=O)NCc2ccc(COc3ccccc3)cc2)CCC1N
InChIInChI=1S/C23H31N3O2/c1-23(2)17-26(13-12-21(23)24)15-22(27)25-14-18-8-10-19(11-9-18)16-28-20-6-4-3-5-7-20/h3-11,21H,12-17,24H2,1-2H3,(H,25,27)
InChIKeyIRWBHQPATXTFRP-UHFFFAOYSA-N
MW381.52 g/mol
LogP2.94
Rot. Bonds7

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

2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[[4-(phenoxymethyl)phenyl]methyl]acetamide (PubChem CID 120774440) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[[4-(phenoxymethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[[4-(phenoxymethyl)phenyl]methyl]acetamide
PubChem CID120774440
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[[4-(phenoxymethyl)phenyl]methyl]acetamide
SMILESCC1(C)CN(CC(=O)NCc2ccc(COc3ccccc3)cc2)CCC1N
InChIInChI=1S/C23H31N3O2/c1-23(2)17-26(13-12-21(23)24)15-22(27)25-14-18-8-10-19(11-9-18)16-28-20-6-4-3-5-7-20/h3-11,21H,12-17,24H2,1-2H3,(H,25,27)
InChIKeyIRWBHQPATXTFRP-UHFFFAOYSA-N
XLogP2.94
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[[4-(methoxymethyl)phenyl]methyl]acetamide;hydrochloride
CID 120776497
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[(4-propoxyphenyl)methyl]acetamide
CID 120774187
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
3,3-dimethyl-1-[(3-phenylmethoxyphenyl)methyl]piperidin-4-amine
CID 120776218
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-(difluoromethoxy)phenyl]ethyl]acetamide
CID 120774997
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-[(4-ethoxyphenyl)methyl]-N-methylacetamide
CID 120775332
2-[[2-(4-amino-3,3-dimethylpiperidin-1-yl)acetyl]amino]-N-(2-ethylphenyl)acetamide
CID 120775680

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[[4-(phenoxymethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[[4-(phenoxymethyl)phenyl]methyl]acetamide (CID 120774440) is 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[[4-(phenoxymethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[[4-(phenoxymethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[[4-(phenoxymethyl)phenyl]methyl]acetamide is CC1(C)CN(CC(=O)NCc2ccc(COc3ccccc3)cc2)CCC1N.
What is the InChIKey of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[[4-(phenoxymethyl)phenyl]methyl]acetamide?
The InChIKey is IRWBHQPATXTFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-23(2)17-26(13-12-21(23)24)15-22(27)25-14-18-8-10-19(11-9-18)16-28-20-6-4-3-5-7-20/h3-11,21H,12-17,24H2,1-2H3,(H,25,27).
What are the key properties of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[[4-(phenoxymethyl)phenyl]methyl]acetamide?
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[[4-(phenoxymethyl)phenyl]methyl]acetamide has a molecular weight of 381.52 g/mol, XLogP of 2.94, 7 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-(phenoxymethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 120774440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).