4-[(2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]-N-(naphthalen-1-ylmethyl)piperazine-1-carboxamide

C23H33N3O3 — CID 124852194

IUPAC4-[(2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]-N-(naphthalen-1-ylmethyl)piperazine-1-carboxamide
SMILESCC(C)(C)OC[C@@H](O)CN1CCN(C(=O)NCc2cccc3ccccc23)CC1
InChIInChI=1S/C23H33N3O3/c1-23(2,3)29-17-20(27)16-25-11-13-26(14-12-25)22(28)24-15-19-9-6-8-18-7-4-5-10-21(18)19/h4-10,20,27H,11-17H2,1-3H3,(H,24,28)/t20-/m0/s1
InChIKeyUJUUPXNWGMJOQO-FQEVSTJZSA-N
MW399.54 g/mol
LogP2.84
Rot. Bonds6

About 4-[(2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]-N-(naphthalen-1-ylmethyl)piperazine-1-carboxamide

4-[(2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]-N-(naphthalen-1-ylmethyl)piperazine-1-carboxamide (PubChem CID 124852194) has the molecular formula C23H33N3O3 and a molecular weight of 399.54 g/mol. Its IUPAC name is 4-[(2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]-N-(naphthalen-1-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]-N-(naphthalen-1-ylmethyl)piperazine-1-carboxamide
PubChem CID124852194
Molecular FormulaC23H33N3O3
Molecular Weight399.54 g/mol
Exact Mass399.25
IUPAC Name4-[(2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]-N-(naphthalen-1-ylmethyl)piperazine-1-carboxamide
SMILESCC(C)(C)OC[C@@H](O)CN1CCN(C(=O)NCc2cccc3ccccc23)CC1
InChIInChI=1S/C23H33N3O3/c1-23(2,3)29-17-20(27)16-25-11-13-26(14-12-25)22(28)24-15-19-9-6-8-18-7-4-5-10-21(18)19/h4-10,20,27H,11-17H2,1-3H3,(H,24,28)/t20-/m0/s1
InChIKeyUJUUPXNWGMJOQO-FQEVSTJZSA-N
XLogP2.84
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]-N-(naphthalen-1-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of 4-[(2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]-N-(naphthalen-1-ylmethyl)piperazine-1-carboxamide (CID 124852194) is 4-[(2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]-N-(naphthalen-1-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[(2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]-N-(naphthalen-1-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[(2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]-N-(naphthalen-1-ylmethyl)piperazine-1-carboxamide is CC(C)(C)OC[C@@H](O)CN1CCN(C(=O)NCc2cccc3ccccc23)CC1.
What is the InChIKey of 4-[(2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]-N-(naphthalen-1-ylmethyl)piperazine-1-carboxamide?
The InChIKey is UJUUPXNWGMJOQO-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H33N3O3/c1-23(2,3)29-17-20(27)16-25-11-13-26(14-12-25)22(28)24-15-19-9-6-8-18-7-4-5-10-21(18)19/h4-10,20,27H,11-17H2,1-3H3,(H,24,28)/t20-/m0/s1.
What are the key properties of 4-[(2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]-N-(naphthalen-1-ylmethyl)piperazine-1-carboxamide?
4-[(2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]-N-(naphthalen-1-ylmethyl)piperazine-1-carboxamide has a molecular weight of 399.54 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]-N-(naphthalen-1-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 124852194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).