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

C19H31N3O2 — CID 120774187

IUPAC2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[(4-propoxyphenyl)methyl]acetamide
SMILESCCCOc1ccc(CNC(=O)CN2CCC(N)C(C)(C)C2)cc1
InChIInChI=1S/C19H31N3O2/c1-4-11-24-16-7-5-15(6-8-16)12-21-18(23)13-22-10-9-17(20)19(2,3)14-22/h5-8,17H,4,9-14,20H2,1-3H3,(H,21,23)
InChIKeyQZHUQGAUVRBTSH-UHFFFAOYSA-N
MW333.48 g/mol
LogP2.15
Rot. Bonds7

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

2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[(4-propoxyphenyl)methyl]acetamide (PubChem CID 120774187) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[(4-propoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[(4-propoxyphenyl)methyl]acetamide
PubChem CID120774187
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[(4-propoxyphenyl)methyl]acetamide
SMILESCCCOc1ccc(CNC(=O)CN2CCC(N)C(C)(C)C2)cc1
InChIInChI=1S/C19H31N3O2/c1-4-11-24-16-7-5-15(6-8-16)12-21-18(23)13-22-10-9-17(20)19(2,3)14-22/h5-8,17H,4,9-14,20H2,1-3H3,(H,21,23)
InChIKeyQZHUQGAUVRBTSH-UHFFFAOYSA-N
XLogP2.15
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.15
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-(methoxymethyl)phenyl]methyl]acetamide;hydrochloride
CID 120776497
N-ethyl-2-[4-[2-oxo-2-[(4-propoxyphenyl)methylamino]ethyl]piperazin-1-yl]acetamide
CID 87016083
2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-[(4-propoxyphenyl)methyl]acetamide
CID 87014322
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-ethoxyphenyl)methyl]-N-methylacetamide
CID 120775332
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide
CID 120774997
2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-[(4-propoxyphenyl)methyl]acetamide
CID 78899254
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide;hydrochloride
CID 120774996
2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[(4-propoxyphenyl)methyl]acetamide
CID 110921436
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(cyclopropylmethyl)acetamide;hydrochloride
CID 120774150

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[(4-propoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[(4-propoxyphenyl)methyl]acetamide (CID 120774187) is 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[(4-propoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[(4-propoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[(4-propoxyphenyl)methyl]acetamide is CCCOc1ccc(CNC(=O)CN2CCC(N)C(C)(C)C2)cc1.
What is the InChIKey of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[(4-propoxyphenyl)methyl]acetamide?
The InChIKey is QZHUQGAUVRBTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-4-11-24-16-7-5-15(6-8-16)12-21-18(23)13-22-10-9-17(20)19(2,3)14-22/h5-8,17H,4,9-14,20H2,1-3H3,(H,21,23).
What are the key properties of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[(4-propoxyphenyl)methyl]acetamide?
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[(4-propoxyphenyl)methyl]acetamide has a molecular weight of 333.48 g/mol, XLogP of 2.15, 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-propoxyphenyl)methyl]acetamide is sourced from PubChem (CID 120774187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).