N-(3,5-dimethylphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide

C17H27N3O2 — CID 2901262

IUPACN-(3,5-dimethylphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
SMILESCc1cc(C)cc(NC(=O)CCN2CCN(CCO)CC2)c1
InChIInChI=1S/C17H27N3O2/c1-14-11-15(2)13-16(12-14)18-17(22)3-4-19-5-7-20(8-6-19)9-10-21/h11-13,21H,3-10H2,1-2H3,(H,18,22)
InChIKeyLJVMUPXQTXZUKR-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.24
Rot. Bonds6

About N-(3,5-dimethylphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide

N-(3,5-dimethylphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide (PubChem CID 2901262) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
PubChem CID2901262
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC NameN-(3,5-dimethylphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
SMILESCc1cc(C)cc(NC(=O)CCN2CCN(CCO)CC2)c1
InChIInChI=1S/C17H27N3O2/c1-14-11-15(2)13-16(12-14)18-17(22)3-4-19-5-7-20(8-6-19)9-10-21/h11-13,21H,3-10H2,1-2H3,(H,18,22)
InChIKeyLJVMUPXQTXZUKR-UHFFFAOYSA-N
XLogP1.24
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethylphenyl)-3-piperidin-1-ylpropanamide
CID 771509
N-(3,5-dimethylphenyl)-3-thiomorpholin-4-ylpropanamide
CID 91837660
N-(3,5-dimethylphenyl)-3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propanamide
CID 771548
N-(3,4-difluorophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
CID 719526
N-(3-tert-butylphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
CID 20619607
3-(4-methylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide
CID 110858181
N-(4-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide;dihydrochloride
CID 19661853
ethane;N-(3-methylphenyl)-3-piperidin-1-ylpropanamide
CID 143383579
3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 111912608
N-(3,5-dimethylphenyl)-3-(1-methylpiperidin-4-yl)propanamide
CID 110857468
3-piperidin-1-yl-N-(2,4,6-trimethylphenyl)propanamide
CID 683819
N-(3-bromo-4-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide;hydrochloride
CID 90485277

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(3,5-dimethylphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide (CID 2901262) is N-(3,5-dimethylphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide is Cc1cc(C)cc(NC(=O)CCN2CCN(CCO)CC2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide?
The InChIKey is LJVMUPXQTXZUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-14-11-15(2)13-16(12-14)18-17(22)3-4-19-5-7-20(8-6-19)9-10-21/h11-13,21H,3-10H2,1-2H3,(H,18,22).
What are the key properties of N-(3,5-dimethylphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide?
N-(3,5-dimethylphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide has a molecular weight of 305.42 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 2901262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).