N-[3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]acetamide

C15H23N3O2 — CID 110921338

IUPACN-[3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(CN2CCN(CCO)CC2)c1
InChIInChI=1S/C15H23N3O2/c1-13(20)16-15-4-2-3-14(11-15)12-18-7-5-17(6-8-18)9-10-19/h2-4,11,19H,5-10,12H2,1H3,(H,16,20)
InChIKeyYHRDUMRKAVHIOL-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.75
Rot. Bonds5

About N-[3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]acetamide

N-[3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]acetamide (PubChem CID 110921338) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]acetamide
PubChem CID110921338
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-[3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(CN2CCN(CCO)CC2)c1
InChIInChI=1S/C15H23N3O2/c1-13(20)16-15-4-2-3-14(11-15)12-18-7-5-17(6-8-18)9-10-19/h2-4,11,19H,5-10,12H2,1H3,(H,16,20)
InChIKeyYHRDUMRKAVHIOL-UHFFFAOYSA-N
XLogP0.75
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[4-[(2S)-1-methoxypropan-2-yl]piperazin-1-yl]methyl]phenyl]acetamide
CID 96528343
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N-(3-acetamidophenyl)-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide
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2-hydroxyethyl N-[3-(pyrrolidin-1-ylmethyl)phenyl]carbamate
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4-(2-hydroxyethyl)-N-[3-(2,2,2-trifluoroethyl)phenyl]piperazine-1-carboxamide
CID 71916532
3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol
CID 82187897
2-amino-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-phenylpropanamide
CID 119902578
4-(azepan-1-yl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 131936661
4-amino-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]butanamide
CID 119902624
N-[3-[[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]acetamide
CID 75494688
N-[3-[(4-ethyl-2,3-dihydroquinoxalin-1-yl)methyl]phenyl]acetamide
CID 99816656
N-[3-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 60755428

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]acetamide?
The IUPAC name of N-[3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]acetamide (CID 110921338) is N-[3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]acetamide?
The canonical SMILES for N-[3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]acetamide is CC(=O)Nc1cccc(CN2CCN(CCO)CC2)c1.
What is the InChIKey of N-[3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]acetamide?
The InChIKey is YHRDUMRKAVHIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-13(20)16-15-4-2-3-14(11-15)12-18-7-5-17(6-8-18)9-10-19/h2-4,11,19H,5-10,12H2,1H3,(H,16,20).
What are the key properties of N-[3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]acetamide?
N-[3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]acetamide has a molecular weight of 277.37 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]acetamide is sourced from PubChem (CID 110921338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).