N-methyl-N-[[3-[(1-methylpiperidin-4-yl)amino]phenyl]methyl]acetamide

C16H25N3O — CID 43724368

IUPACN-methyl-N-[[3-[(1-methylpiperidin-4-yl)amino]phenyl]methyl]acetamide
SMILESCC(=O)N(C)Cc1cccc(NC2CCN(C)CC2)c1
InChIInChI=1S/C16H25N3O/c1-13(20)19(3)12-14-5-4-6-16(11-14)17-15-7-9-18(2)10-8-15/h4-6,11,15,17H,7-10,12H2,1-3H3
InChIKeySKTZSCYFZWOHMV-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.17
Rot. Bonds4

About N-methyl-N-[[3-[(1-methylpiperidin-4-yl)amino]phenyl]methyl]acetamide

N-methyl-N-[[3-[(1-methylpiperidin-4-yl)amino]phenyl]methyl]acetamide (PubChem CID 43724368) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-methyl-N-[[3-[(1-methylpiperidin-4-yl)amino]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[[3-[(1-methylpiperidin-4-yl)amino]phenyl]methyl]acetamide
PubChem CID43724368
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-methyl-N-[[3-[(1-methylpiperidin-4-yl)amino]phenyl]methyl]acetamide
SMILESCC(=O)N(C)Cc1cccc(NC2CCN(C)CC2)c1
InChIInChI=1S/C16H25N3O/c1-13(20)19(3)12-14-5-4-6-16(11-14)17-15-7-9-18(2)10-8-15/h4-6,11,15,17H,7-10,12H2,1-3H3
InChIKeySKTZSCYFZWOHMV-UHFFFAOYSA-N
XLogP2.17
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-[(1-ethylpiperidin-4-yl)amino]phenyl]methyl]-N-methylacetamide
CID 43724371
N-methyl-N-[[3-[(1-methylpiperidin-4-yl)methylamino]phenyl]methyl]acetamide
CID 62659590
1-[4-[3-[(dimethylamino)methyl]anilino]piperidin-1-yl]ethanone
CID 43782188
N-methyl-N-[[3-[(3-methylcyclobutyl)amino]phenyl]methyl]acetamide
CID 104860066
[3-[(1-methylpiperidin-4-yl)amino]phenyl]methanol
CID 43715020
4-[3-[(dimethylamino)methyl]anilino]piperidine-1-carboxamide
CID 43782212
N-methyl-N-[[2-[(1-methylpiperidin-4-yl)amino]phenyl]methyl]acetamide
CID 43692067
N-methyl-N-[[3-[(2-methyloxolan-3-yl)amino]phenyl]methyl]acetamide
CID 82726630
1-[3-[(1-methylpiperidin-4-yl)amino]phenyl]butan-2-ylcarbamic acid
CID 175598356
tert-butyl 4-[3-[[ethyl(methyl)amino]methyl]anilino]piperidine-1-carboxylate;ethane
CID 143307618
(9aR)-N-[3-[[acetyl(methyl)amino]methyl]phenyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide
CID 97022143
N-[3-(methoxymethyl)phenyl]-1-methylazepan-4-amine
CID 65070554

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[3-[(1-methylpiperidin-4-yl)amino]phenyl]methyl]acetamide?
The IUPAC name of N-methyl-N-[[3-[(1-methylpiperidin-4-yl)amino]phenyl]methyl]acetamide (CID 43724368) is N-methyl-N-[[3-[(1-methylpiperidin-4-yl)amino]phenyl]methyl]acetamide.
What is the SMILES notation for N-methyl-N-[[3-[(1-methylpiperidin-4-yl)amino]phenyl]methyl]acetamide?
The canonical SMILES for N-methyl-N-[[3-[(1-methylpiperidin-4-yl)amino]phenyl]methyl]acetamide is CC(=O)N(C)Cc1cccc(NC2CCN(C)CC2)c1.
What is the InChIKey of N-methyl-N-[[3-[(1-methylpiperidin-4-yl)amino]phenyl]methyl]acetamide?
The InChIKey is SKTZSCYFZWOHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-13(20)19(3)12-14-5-4-6-16(11-14)17-15-7-9-18(2)10-8-15/h4-6,11,15,17H,7-10,12H2,1-3H3.
What are the key properties of N-methyl-N-[[3-[(1-methylpiperidin-4-yl)amino]phenyl]methyl]acetamide?
N-methyl-N-[[3-[(1-methylpiperidin-4-yl)amino]phenyl]methyl]acetamide has a molecular weight of 275.40 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[3-[(1-methylpiperidin-4-yl)amino]phenyl]methyl]acetamide is sourced from PubChem (CID 43724368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).