4-[(2R)-2-hydroxybutyl]-N-propan-2-ylpiperazine-1-carboxamide

C12H25N3O2 — CID 75374952

IUPAC4-[(2R)-2-hydroxybutyl]-N-propan-2-ylpiperazine-1-carboxamide
SMILESCC[C@@H](O)CN1CCN(C(=O)NC(C)C)CC1
InChIInChI=1S/C12H25N3O2/c1-4-11(16)9-14-5-7-15(8-6-14)12(17)13-10(2)3/h10-11,16H,4-9H2,1-3H3,(H,13,17)/t11-/m1/s1
InChIKeyYIWBLGJOHYHIHU-LLVKDONJSA-N
MW243.35 g/mol
LogP0.49
Rot. Bonds4

About 4-[(2R)-2-hydroxybutyl]-N-propan-2-ylpiperazine-1-carboxamide

4-[(2R)-2-hydroxybutyl]-N-propan-2-ylpiperazine-1-carboxamide (PubChem CID 75374952) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 4-[(2R)-2-hydroxybutyl]-N-propan-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(2R)-2-hydroxybutyl]-N-propan-2-ylpiperazine-1-carboxamide
PubChem CID75374952
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name4-[(2R)-2-hydroxybutyl]-N-propan-2-ylpiperazine-1-carboxamide
SMILESCC[C@@H](O)CN1CCN(C(=O)NC(C)C)CC1
InChIInChI=1S/C12H25N3O2/c1-4-11(16)9-14-5-7-15(8-6-14)12(17)13-10(2)3/h10-11,16H,4-9H2,1-3H3,(H,13,17)/t11-/m1/s1
InChIKeyYIWBLGJOHYHIHU-LLVKDONJSA-N
XLogP0.49
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-hydroxybutyl]-N-propan-2-ylpiperazine-1-carboxamide?
The IUPAC name of 4-[(2R)-2-hydroxybutyl]-N-propan-2-ylpiperazine-1-carboxamide (CID 75374952) is 4-[(2R)-2-hydroxybutyl]-N-propan-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[(2R)-2-hydroxybutyl]-N-propan-2-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-[(2R)-2-hydroxybutyl]-N-propan-2-ylpiperazine-1-carboxamide is CC[C@@H](O)CN1CCN(C(=O)NC(C)C)CC1.
What is the InChIKey of 4-[(2R)-2-hydroxybutyl]-N-propan-2-ylpiperazine-1-carboxamide?
The InChIKey is YIWBLGJOHYHIHU-LLVKDONJSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-4-11(16)9-14-5-7-15(8-6-14)12(17)13-10(2)3/h10-11,16H,4-9H2,1-3H3,(H,13,17)/t11-/m1/s1.
What are the key properties of 4-[(2R)-2-hydroxybutyl]-N-propan-2-ylpiperazine-1-carboxamide?
4-[(2R)-2-hydroxybutyl]-N-propan-2-ylpiperazine-1-carboxamide has a molecular weight of 243.35 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-hydroxybutyl]-N-propan-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 75374952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).