2-[4-[(1-ethylpiperidin-4-yl)amino]phenyl]-N,N-dimethylacetamide

C17H27N3O — CID 43720741

IUPAC2-[4-[(1-ethylpiperidin-4-yl)amino]phenyl]-N,N-dimethylacetamide
SMILESCCN1CCC(Nc2ccc(CC(=O)N(C)C)cc2)CC1
InChIInChI=1S/C17H27N3O/c1-4-20-11-9-16(10-12-20)18-15-7-5-14(6-8-15)13-17(21)19(2)3/h5-8,16,18H,4,9-13H2,1-3H3
InChIKeyDXCTYZCGCOIRNC-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.21
Rot. Bonds5

About 2-[4-[(1-ethylpiperidin-4-yl)amino]phenyl]-N,N-dimethylacetamide

2-[4-[(1-ethylpiperidin-4-yl)amino]phenyl]-N,N-dimethylacetamide (PubChem CID 43720741) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-[4-[(1-ethylpiperidin-4-yl)amino]phenyl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-[(1-ethylpiperidin-4-yl)amino]phenyl]-N,N-dimethylacetamide
PubChem CID43720741
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-[4-[(1-ethylpiperidin-4-yl)amino]phenyl]-N,N-dimethylacetamide
SMILESCCN1CCC(Nc2ccc(CC(=O)N(C)C)cc2)CC1
InChIInChI=1S/C17H27N3O/c1-4-20-11-9-16(10-12-20)18-15-7-5-14(6-8-15)13-17(21)19(2)3/h5-8,16,18H,4,9-13H2,1-3H3
InChIKeyDXCTYZCGCOIRNC-UHFFFAOYSA-N
XLogP2.21
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(4-aminocyclohexyl)amino]phenyl]-N,N-dimethylacetamide
CID 79731243
2-[4-[(1-ethylazepan-4-yl)amino]phenyl]-N-methylacetamide
CID 65074416
2-[4-[(1,1-dioxothian-4-yl)amino]phenyl]-N,N-dimethylacetamide
CID 43720805
N-[4-[(1-ethylpiperidin-4-yl)amino]phenyl]-2-methylpropanamide
CID 43683732
2-[4-(1-azabicyclo[3.2.1]octan-4-ylamino)phenyl]-N,N-dimethylacetamide
CID 105364118
N-(1-ethylpiperidin-4-yl)-N-methyl-2-(4-sulfanylphenyl)acetamide
CID 107026586
N-[[3-[(1-ethylpiperidin-4-yl)amino]phenyl]methyl]-N-methylacetamide
CID 43724371
2-chloro-5-[(1-ethylpiperidin-4-yl)amino]benzoic acid
CID 43736226
2-[4-[(2,4-dimethylcyclohexyl)amino]phenyl]-N,N-dimethylacetamide
CID 64761637
1-ethyl-N-(4-iodophenyl)azepan-4-amine
CID 65073993
N-[4-[(1-propylpiperidin-4-yl)amino]phenyl]propanamide
CID 43720611
4-[4-(2-aminoethyl)anilino]-N-[3-(dimethylamino)-3-oxopropyl]piperidine-1-carboxamide
CID 18173951

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-ethylpiperidin-4-yl)amino]phenyl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-[(1-ethylpiperidin-4-yl)amino]phenyl]-N,N-dimethylacetamide (CID 43720741) is 2-[4-[(1-ethylpiperidin-4-yl)amino]phenyl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-[(1-ethylpiperidin-4-yl)amino]phenyl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-[(1-ethylpiperidin-4-yl)amino]phenyl]-N,N-dimethylacetamide is CCN1CCC(Nc2ccc(CC(=O)N(C)C)cc2)CC1.
What is the InChIKey of 2-[4-[(1-ethylpiperidin-4-yl)amino]phenyl]-N,N-dimethylacetamide?
The InChIKey is DXCTYZCGCOIRNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-4-20-11-9-16(10-12-20)18-15-7-5-14(6-8-15)13-17(21)19(2)3/h5-8,16,18H,4,9-13H2,1-3H3.
What are the key properties of 2-[4-[(1-ethylpiperidin-4-yl)amino]phenyl]-N,N-dimethylacetamide?
2-[4-[(1-ethylpiperidin-4-yl)amino]phenyl]-N,N-dimethylacetamide has a molecular weight of 289.42 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-ethylpiperidin-4-yl)amino]phenyl]-N,N-dimethylacetamide is sourced from PubChem (CID 43720741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).