N-[3-[1-[(1,3-dimethylpiperidin-4-yl)amino]ethyl]phenyl]acetamide

C17H27N3O — CID 115708260

IUPACN-[3-[1-[(1,3-dimethylpiperidin-4-yl)amino]ethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(C)NC2CCN(C)CC2C)c1
InChIInChI=1S/C17H27N3O/c1-12-11-20(4)9-8-17(12)18-13(2)15-6-5-7-16(10-15)19-14(3)21/h5-7,10,12-13,17-18H,8-9,11H2,1-4H3,(H,19,21)
InChIKeyUFWUBAIPKXAGMZ-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.64
Rot. Bonds4

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

N-[3-[1-[(1,3-dimethylpiperidin-4-yl)amino]ethyl]phenyl]acetamide (PubChem CID 115708260) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[3-[1-[(1,3-dimethylpiperidin-4-yl)amino]ethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-[(1,3-dimethylpiperidin-4-yl)amino]ethyl]phenyl]acetamide
PubChem CID115708260
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-[3-[1-[(1,3-dimethylpiperidin-4-yl)amino]ethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(C)NC2CCN(C)CC2C)c1
InChIInChI=1S/C17H27N3O/c1-12-11-20(4)9-8-17(12)18-13(2)15-6-5-7-16(10-15)19-14(3)21/h5-7,10,12-13,17-18H,8-9,11H2,1-4H3,(H,19,21)
InChIKeyUFWUBAIPKXAGMZ-UHFFFAOYSA-N
XLogP2.64
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[1-[(1-methylpiperidin-4-yl)amino]ethyl]phenyl]acetamide
CID 43206478
N-[3-[1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]phenyl]acetamide
CID 43752163
(3R,4R)-1,3-dimethyl-N-[(1S)-1-phenylethyl]piperidin-4-amine
CID 11172331
2-[1-(3-acetamidophenyl)ethylamino]cyclobutane-1-carboxylic acid
CID 103240431
N-[3-[1-[[(1S,2S)-2-hydroxycyclohexyl]amino]ethyl]phenyl]acetamide
CID 104956122
N-[3-[1-[(2-hydroxycycloheptyl)amino]ethyl]phenyl]acetamide
CID 60980286
2-[1-[(1,3-dimethylpiperidin-4-yl)amino]ethyl]benzene-1,3-diol
CID 107711309
5-[1-[(1,3-dimethylpiperidin-4-yl)amino]ethyl]benzene-1,3-diol
CID 107707305
N-[3-[1-[(3-methylcyclopentyl)amino]ethyl]phenyl]acetamide
CID 64500396
N-[1-(3,4-difluorophenyl)ethyl]-1,3-dimethylpiperidin-4-amine
CID 115649937
1,3-dimethyl-N-[1-(4-methylphenyl)ethyl]piperidin-4-amine
CID 115710203
cyclopropyl-[(3S,4R)-4-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-3-methylpiperidin-1-yl]methanone
CID 96513320

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[(1,3-dimethylpiperidin-4-yl)amino]ethyl]phenyl]acetamide?
The IUPAC name of N-[3-[1-[(1,3-dimethylpiperidin-4-yl)amino]ethyl]phenyl]acetamide (CID 115708260) is N-[3-[1-[(1,3-dimethylpiperidin-4-yl)amino]ethyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[1-[(1,3-dimethylpiperidin-4-yl)amino]ethyl]phenyl]acetamide?
The canonical SMILES for N-[3-[1-[(1,3-dimethylpiperidin-4-yl)amino]ethyl]phenyl]acetamide is CC(=O)Nc1cccc(C(C)NC2CCN(C)CC2C)c1.
What is the InChIKey of N-[3-[1-[(1,3-dimethylpiperidin-4-yl)amino]ethyl]phenyl]acetamide?
The InChIKey is UFWUBAIPKXAGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-12-11-20(4)9-8-17(12)18-13(2)15-6-5-7-16(10-15)19-14(3)21/h5-7,10,12-13,17-18H,8-9,11H2,1-4H3,(H,19,21).
What are the key properties of N-[3-[1-[(1,3-dimethylpiperidin-4-yl)amino]ethyl]phenyl]acetamide?
N-[3-[1-[(1,3-dimethylpiperidin-4-yl)amino]ethyl]phenyl]acetamide has a molecular weight of 289.42 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[(1,3-dimethylpiperidin-4-yl)amino]ethyl]phenyl]acetamide is sourced from PubChem (CID 115708260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).