2-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide

C19H29N3O2 — CID 71783295

IUPAC2-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CN2CCN(CC(O)C3CC3)CC2)cc1
InChIInChI=1S/C19H29N3O2/c1-15-2-4-16(5-3-15)12-20-19(24)14-22-10-8-21(9-11-22)13-18(23)17-6-7-17/h2-5,17-18,23H,6-14H2,1H3,(H,20,24)
InChIKeyDJOFYHHSDOIPAX-UHFFFAOYSA-N
MW331.46 g/mol
LogP1.00
Rot. Bonds7

About 2-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide

2-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 71783295) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 2-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
PubChem CID71783295
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name2-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CN2CCN(CC(O)C3CC3)CC2)cc1
InChIInChI=1S/C19H29N3O2/c1-15-2-4-16(5-3-15)12-20-19(24)14-22-10-8-21(9-11-22)13-18(23)17-6-7-17/h2-5,17-18,23H,6-14H2,1H3,(H,20,24)
InChIKeyDJOFYHHSDOIPAX-UHFFFAOYSA-N
XLogP1.00
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-Morpholineacetamide, N-(phenylmethyl)-
CID 2958814
N1-benzyl-N2-(3-morpholinopropyl)oxalamide
CID 2291099
1-(1-cyclohexyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-[[(2S)-2-hydroxybutyl]amino]ethanone
CID 59396356
1-(1-cyclohexyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-[[(2R)-2-hydroxybutyl]amino]ethanone
CID 59396624
1-(2-((4-Methylbenzyl)amino)-2-oxoethyl)piperidine-4-carboxamide
CID 2106397
N-[(4-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)acetamide
CID 3947032
2-(2,6-dimethylmorpholin-4-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 4877762
N-benzyl-2-(2,6-dimethyl-4-morpholinyl)acetamide
CID 6467807
2-(2,6-dimethylmorpholin-4-yl)-N-(1-phenylethyl)acetamide
CID 6469831
1-(1-cyclohexyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-[[(2R)-2-hydroxypropyl]amino]ethanone
CID 25119161
1-[(1S)-1-cyclohexyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-[[(2R)-2-hydroxypropyl]amino]ethanone
CID 59396449
1-(1-cyclohexyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-[[(2S)-2-hydroxypropyl]amino]ethanone
CID 59396609

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide (CID 71783295) is 2-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)CN2CCN(CC(O)C3CC3)CC2)cc1.
What is the InChIKey of 2-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is DJOFYHHSDOIPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-15-2-4-16(5-3-15)12-20-19(24)14-22-10-8-21(9-11-22)13-18(23)17-6-7-17/h2-5,17-18,23H,6-14H2,1H3,(H,20,24).
What are the key properties of 2-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide?
2-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 331.46 g/mol, XLogP of 1.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 71783295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).