2-[4-[1-(3,5-dimethylphenyl)ethylamino]piperidin-1-yl]acetamide

C17H27N3O — CID 81297527

IUPAC2-[4-[1-(3,5-dimethylphenyl)ethylamino]piperidin-1-yl]acetamide
SMILESCc1cc(C)cc(C(C)NC2CCN(CC(N)=O)CC2)c1
InChIInChI=1S/C17H27N3O/c1-12-8-13(2)10-15(9-12)14(3)19-16-4-6-20(7-5-16)11-17(18)21/h8-10,14,16,19H,4-7,11H2,1-3H3,(H2,18,21)
InChIKeyPPJYSUCGTOERGU-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.90
Rot. Bonds5

About 2-[4-[1-(3,5-dimethylphenyl)ethylamino]piperidin-1-yl]acetamide

2-[4-[1-(3,5-dimethylphenyl)ethylamino]piperidin-1-yl]acetamide (PubChem CID 81297527) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-[4-[1-(3,5-dimethylphenyl)ethylamino]piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[1-(3,5-dimethylphenyl)ethylamino]piperidin-1-yl]acetamide
PubChem CID81297527
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-[4-[1-(3,5-dimethylphenyl)ethylamino]piperidin-1-yl]acetamide
SMILESCc1cc(C)cc(C(C)NC2CCN(CC(N)=O)CC2)c1
InChIInChI=1S/C17H27N3O/c1-12-8-13(2)10-15(9-12)14(3)19-16-4-6-20(7-5-16)11-17(18)21/h8-10,14,16,19H,4-7,11H2,1-3H3,(H2,18,21)
InChIKeyPPJYSUCGTOERGU-UHFFFAOYSA-N
XLogP1.90
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(1-pyridin-4-ylethylamino)piperidin-1-yl]acetamide
CID 43746847
2-[4-[1-(5-fluoro-3-pyridinyl)ethylamino]piperidin-1-yl]acetamide
CID 103776848
2-[4-[1-(1,3-thiazol-5-yl)ethylamino]piperidin-1-yl]acetamide
CID 113260068
2-[4-[1-(5-bromo-2-fluorophenyl)ethylamino]piperidin-1-yl]acetamide
CID 81298064
2-[4-[1-(1,3-thiazol-2-yl)ethylamino]piperidin-1-yl]acetamide
CID 64992990
N-[1-(3,5-dimethylphenyl)ethyl]-1-methylsulfonylpiperidin-4-amine
CID 81296653
4-(2-amino-2-oxoethyl)-N-[1-(3,5-dimethylphenyl)ethyl]piperidine-1-carboxamide
CID 56783182
N-[1-(3,5-dimethylphenyl)ethyl]cyclopentanamine
CID 81300917
2-[4-(pentan-3-ylamino)piperidin-1-yl]acetamide
CID 43746855
2-[4-[1-(4-hydroxyphenyl)propan-2-ylamino]piperidin-1-yl]acetamide
CID 115494179
2-[4-[[(1S)-1-pyridin-4-ylethyl]carbamoylamino]piperidin-1-yl]acetamide
CID 95159118
2-[4-(4-phenylbutan-2-ylamino)piperidin-1-yl]acetamide
CID 43746850

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(3,5-dimethylphenyl)ethylamino]piperidin-1-yl]acetamide?
The IUPAC name of 2-[4-[1-(3,5-dimethylphenyl)ethylamino]piperidin-1-yl]acetamide (CID 81297527) is 2-[4-[1-(3,5-dimethylphenyl)ethylamino]piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[1-(3,5-dimethylphenyl)ethylamino]piperidin-1-yl]acetamide?
The canonical SMILES for 2-[4-[1-(3,5-dimethylphenyl)ethylamino]piperidin-1-yl]acetamide is Cc1cc(C)cc(C(C)NC2CCN(CC(N)=O)CC2)c1.
What is the InChIKey of 2-[4-[1-(3,5-dimethylphenyl)ethylamino]piperidin-1-yl]acetamide?
The InChIKey is PPJYSUCGTOERGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-12-8-13(2)10-15(9-12)14(3)19-16-4-6-20(7-5-16)11-17(18)21/h8-10,14,16,19H,4-7,11H2,1-3H3,(H2,18,21).
What are the key properties of 2-[4-[1-(3,5-dimethylphenyl)ethylamino]piperidin-1-yl]acetamide?
2-[4-[1-(3,5-dimethylphenyl)ethylamino]piperidin-1-yl]acetamide has a molecular weight of 289.42 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(3,5-dimethylphenyl)ethylamino]piperidin-1-yl]acetamide is sourced from PubChem (CID 81297527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).