2-[acetyl(methyl)amino]-N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]acetamide

C20H31N3O2 — CID 47043225

IUPAC2-[acetyl(methyl)amino]-N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
SMILESCC(=O)N(C)CC(=O)NCc1ccccc1CN1CC(C)CC(C)C1
InChIInChI=1S/C20H31N3O2/c1-15-9-16(2)12-23(11-15)13-19-8-6-5-7-18(19)10-21-20(25)14-22(4)17(3)24/h5-8,15-16H,9-14H2,1-4H3,(H,21,25)
InChIKeyBFMNSTDETIVQNF-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.26
Rot. Bonds6

About 2-[acetyl(methyl)amino]-N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]acetamide

2-[acetyl(methyl)amino]-N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]acetamide (PubChem CID 47043225) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 2-[acetyl(methyl)amino]-N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[acetyl(methyl)amino]-N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
PubChem CID47043225
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name2-[acetyl(methyl)amino]-N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
SMILESCC(=O)N(C)CC(=O)NCc1ccccc1CN1CC(C)CC(C)C1
InChIInChI=1S/C20H31N3O2/c1-15-9-16(2)12-23(11-15)13-19-8-6-5-7-18(19)10-21-20(25)14-22(4)17(3)24/h5-8,15-16H,9-14H2,1-4H3,(H,21,25)
InChIKeyBFMNSTDETIVQNF-UHFFFAOYSA-N
XLogP2.26
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]-2-phenylacetamide
CID 55847080
2-[2-[[[2-[acetyl(methyl)amino]acetyl]amino]methyl]phenyl]acetic acid
CID 81318110
(2S)-2-acetamido-N-[[2-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]-3-methylbutanamide
CID 124733535
N-[2-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 60517749
N-[[2-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 52629901
N-[[2-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 52629899
(3S)-1-acetyl-N-[[2-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 124726117
N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
CID 55746930
N,N-dimethyl-2-[(3-methylazetidin-1-yl)methyl]benzamide
CID 177348316
3-amino-N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]pyrazine-2-carboxamide
CID 60517608
5-N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide
CID 86891548
N-[2-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 154834685

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(methyl)amino]-N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]acetamide?
The IUPAC name of 2-[acetyl(methyl)amino]-N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]acetamide (CID 47043225) is 2-[acetyl(methyl)amino]-N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]acetamide.
What is the SMILES notation for 2-[acetyl(methyl)amino]-N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]acetamide?
The canonical SMILES for 2-[acetyl(methyl)amino]-N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]acetamide is CC(=O)N(C)CC(=O)NCc1ccccc1CN1CC(C)CC(C)C1.
What is the InChIKey of 2-[acetyl(methyl)amino]-N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]acetamide?
The InChIKey is BFMNSTDETIVQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-15-9-16(2)12-23(11-15)13-19-8-6-5-7-18(19)10-21-20(25)14-22(4)17(3)24/h5-8,15-16H,9-14H2,1-4H3,(H,21,25).
What are the key properties of 2-[acetyl(methyl)amino]-N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]acetamide?
2-[acetyl(methyl)amino]-N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]acetamide has a molecular weight of 345.49 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(methyl)amino]-N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]acetamide is sourced from PubChem (CID 47043225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).