2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide

C19H29N3O2 — CID 95326159

IUPAC2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide
SMILESO=C(CN1CCN(CCO)CC1)NC[C@H]1CCCc2ccccc21
InChIInChI=1S/C19H29N3O2/c23-13-12-21-8-10-22(11-9-21)15-19(24)20-14-17-6-3-5-16-4-1-2-7-18(16)17/h1-2,4,7,17,23H,3,5-6,8-15H2,(H,20,24)/t17-/m1/s1
InChIKeyVBEAMCRCYYBHGV-QGZVFWFLSA-N
MW331.46 g/mol
LogP0.83
Rot. Bonds6

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

2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide (PubChem CID 95326159) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide
PubChem CID95326159
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide
SMILESO=C(CN1CCN(CCO)CC1)NC[C@H]1CCCc2ccccc21
InChIInChI=1S/C19H29N3O2/c23-13-12-21-8-10-22(11-9-21)15-19(24)20-14-17-6-3-5-16-4-1-2-7-18(16)17/h1-2,4,7,17,23H,3,5-6,8-15H2,(H,20,24)/t17-/m1/s1
InChIKeyVBEAMCRCYYBHGV-QGZVFWFLSA-N
XLogP0.83
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide with MolForge

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Related Compounds

2-(2,4-dimethylpiperazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)acetamide
CID 71877563
2-[(2R)-2,4-dimethylpiperazin-1-yl]-N-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide
CID 97094354
(3R)-N-(cyclopropylmethyl)-1-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]ethyl]piperidine-3-carboxamide
CID 124786781
2-(5-phenyltetrazol-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)acetamide
CID 51113096
4-amino-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)butanamide;hydrochloride
CID 119291488
N-propan-2-yl-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)acetamide
CID 63773485
6-(1,2,3,4-tetrahydronaphthalen-1-ylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 119181193
2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)acetamide
CID 46429182
N-ethyl-2-[4-[(1S)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]-1,4-diazepan-1-yl]acetamide
CID 94797188
N-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]pyridine-2-carboxamide
CID 39991451
N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidine-4-carboxamide
CID 119291466
1-amino-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclohexane-1-carboxamide
CID 119291485

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide?
The IUPAC name of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide (CID 95326159) is 2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide.
What is the SMILES notation for 2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide?
The canonical SMILES for 2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide is O=C(CN1CCN(CCO)CC1)NC[C@H]1CCCc2ccccc21.
What is the InChIKey of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide?
The InChIKey is VBEAMCRCYYBHGV-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H29N3O2/c23-13-12-21-8-10-22(11-9-21)15-19(24)20-14-17-6-3-5-16-4-1-2-7-18(16)17/h1-2,4,7,17,23H,3,5-6,8-15H2,(H,20,24)/t17-/m1/s1.
What are the key properties of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide?
2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide has a molecular weight of 331.46 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide is sourced from PubChem (CID 95326159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).