N-benzyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide

C16H25N3O2 — CID 110877703

IUPACN-benzyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
SMILESCC(C(=O)NCc1ccccc1)N1CCN(CCO)CC1
InChIInChI=1S/C16H25N3O2/c1-14(19-9-7-18(8-10-19)11-12-20)16(21)17-13-15-5-3-2-4-6-15/h2-6,14,20H,7-13H2,1H3,(H,17,21)
InChIKeyYUDTZHQEPCKTSC-UHFFFAOYSA-N
MW291.39 g/mol
LogP0.30
Rot. Bonds6

About N-benzyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide

N-benzyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide (PubChem CID 110877703) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-benzyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-benzyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
PubChem CID110877703
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-benzyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
SMILESCC(C(=O)NCc1ccccc1)N1CCN(CCO)CC1
InChIInChI=1S/C16H25N3O2/c1-14(19-9-7-18(8-10-19)11-12-20)16(21)17-13-15-5-3-2-4-6-15/h2-6,14,20H,7-13H2,1H3,(H,17,21)
InChIKeyYUDTZHQEPCKTSC-UHFFFAOYSA-N
XLogP0.30
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]propanamide
CID 110880118
(2R)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-phenylpropanamide
CID 51894730
(2S)-N-benzyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanamide
CID 9266113
(2R)-N-benzyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanamide
CID 9266116
(2S)-N-(benzylcarbamoyl)-2-(4-methylpiperazin-1-yl)propanamide
CID 9250096
2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[2-(2-methylphenyl)ethyl]propanamide
CID 110884150
(2R)-N-benzyl-2-[4-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]piperazin-1-yl]propanamide
CID 97064355
(2S)-N-benzyl-2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 8773224
1-[1-(benzylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid;hydrochloride
CID 119906793
(2R)-N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
CID 51629091
(2R)-N-benzyl-2-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]propanamide
CID 94809792
(2R)-N-benzyl-2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 9434357

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide?
The IUPAC name of N-benzyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide (CID 110877703) is N-benzyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-benzyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-benzyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide is CC(C(=O)NCc1ccccc1)N1CCN(CCO)CC1.
What is the InChIKey of N-benzyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide?
The InChIKey is YUDTZHQEPCKTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-14(19-9-7-18(8-10-19)11-12-20)16(21)17-13-15-5-3-2-4-6-15/h2-6,14,20H,7-13H2,1H3,(H,17,21).
What are the key properties of N-benzyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide?
N-benzyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide has a molecular weight of 291.39 g/mol, XLogP of 0.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 110877703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).