N-ethyl-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-phenylpropanamide

C19H31N3O2 — CID 111489569

IUPACN-ethyl-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-phenylpropanamide
SMILESCCC(CO)N1CCN(C(C)C(=O)N(CC)c2ccccc2)CC1
InChIInChI=1S/C19H31N3O2/c1-4-17(15-23)21-13-11-20(12-14-21)16(3)19(24)22(5-2)18-9-7-6-8-10-18/h6-10,16-17,23H,4-5,11-15H2,1-3H3
InChIKeyDEXVJGFYCOWUOG-UHFFFAOYSA-N
MW333.48 g/mol
LogP1.82
Rot. Bonds7

About N-ethyl-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-phenylpropanamide

N-ethyl-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-phenylpropanamide (PubChem CID 111489569) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is N-ethyl-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-phenylpropanamide.

Molecular Properties

Compound NameN-ethyl-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-phenylpropanamide
PubChem CID111489569
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC NameN-ethyl-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-phenylpropanamide
SMILESCCC(CO)N1CCN(C(C)C(=O)N(CC)c2ccccc2)CC1
InChIInChI=1S/C19H31N3O2/c1-4-17(15-23)21-13-11-20(12-14-21)16(3)19(24)22(5-2)18-9-7-6-8-10-18/h6-10,16-17,23H,4-5,11-15H2,1-3H3
InChIKeyDEXVJGFYCOWUOG-UHFFFAOYSA-N
XLogP1.82
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-phenylpropanamide
CID 110881386
(2S)-N-ethyl-2-(4-hydroxypiperidin-1-yl)-N-phenylpropanamide
CID 94333132
(2S)-N-ethyl-N-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 8595023
1-[1-(N-ethylanilino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CID 119906953
N-ethyl-2-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazin-1-yl]-N-phenylpropanamide
CID 86904519
(2R)-N-ethyl-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-phenylpropanamide
CID 8690029
(2R)-2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-ethyl-N-phenylpropanamide
CID 8799927
(2S)-N-ethyl-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-phenylpropanamide
CID 8971994
N-ethyl-2,3-dihydroxy-N-phenylpropanamide
CID 11195148
2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-N-ethyl-N-phenylpropanamide
CID 120758926
N-butyl-N-phenyl-2-piperazin-1-ylpropanamide
CID 64586962
2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-N-ethyl-N-phenylpropanamide;hydrochloride
CID 120758925

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-phenylpropanamide?
The IUPAC name of N-ethyl-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-phenylpropanamide (CID 111489569) is N-ethyl-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-phenylpropanamide.
What is the SMILES notation for N-ethyl-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-phenylpropanamide?
The canonical SMILES for N-ethyl-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-phenylpropanamide is CCC(CO)N1CCN(C(C)C(=O)N(CC)c2ccccc2)CC1.
What is the InChIKey of N-ethyl-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-phenylpropanamide?
The InChIKey is DEXVJGFYCOWUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-4-17(15-23)21-13-11-20(12-14-21)16(3)19(24)22(5-2)18-9-7-6-8-10-18/h6-10,16-17,23H,4-5,11-15H2,1-3H3.
What are the key properties of N-ethyl-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-phenylpropanamide?
N-ethyl-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-phenylpropanamide has a molecular weight of 333.48 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-phenylpropanamide is sourced from PubChem (CID 111489569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).