N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-hydroxy-2,3-dimethylbutanamide

C13H27N3O2 — CID 154789742

IUPACN-[(1,4-dimethylpiperazin-2-yl)methyl]-2-hydroxy-2,3-dimethylbutanamide
SMILESCC(C)C(C)(O)C(=O)NCC1CN(C)CCN1C
InChIInChI=1S/C13H27N3O2/c1-10(2)13(3,18)12(17)14-8-11-9-15(4)6-7-16(11)5/h10-11,18H,6-9H2,1-5H3,(H,14,17)
InChIKeySFSXRBWXIBXHHR-UHFFFAOYSA-N
MW257.38 g/mol
LogP-0.24
Rot. Bonds4

About N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-hydroxy-2,3-dimethylbutanamide

N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-hydroxy-2,3-dimethylbutanamide (PubChem CID 154789742) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-hydroxy-2,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-2-hydroxy-2,3-dimethylbutanamide
PubChem CID154789742
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-2-hydroxy-2,3-dimethylbutanamide
SMILESCC(C)C(C)(O)C(=O)NCC1CN(C)CCN1C
InChIInChI=1S/C13H27N3O2/c1-10(2)13(3,18)12(17)14-8-11-9-15(4)6-7-16(11)5/h10-11,18H,6-9H2,1-5H3,(H,14,17)
InChIKeySFSXRBWXIBXHHR-UHFFFAOYSA-N
XLogP-0.24
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(ethylamino)-2-methylpropanamide
CID 63898421
2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide
CID 79811012
2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-methylpentanamide
CID 63896376
2-cyano-N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-methylbutanamide
CID 113270370
N-[(1,4-dimethylpiperazin-2-yl)methyl]-5,5-dimethylhexan-2-amine
CID 114279927
2-[(1,4-dimethylpiperazin-2-yl)methylcarbamoyl-ethylamino]-2-methylpropanoic acid
CID 63897494
2-[[(1,4-dimethylpiperazin-2-yl)methylcarbamoylamino]methyl]-3-methylbutanoic acid
CID 65226816
5-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-methylpentanamide
CID 82688861
3-[(1,4-dimethylpiperazin-2-yl)methylcarbamoylamino]butanoic acid
CID 63896213
4-[(1,4-dimethylpiperazin-2-yl)methylcarbamoylamino]-3-hydroxy-3-methylbutanoic acid
CID 66002437
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(methylamino)acetamide
CID 63898995
(2S)-2-[(1,4-dimethylpiperazin-2-yl)methylcarbamoylamino]-3-methylbutanoic acid
CID 63898251

Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-hydroxy-2,3-dimethylbutanamide?
The IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-hydroxy-2,3-dimethylbutanamide (CID 154789742) is N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-hydroxy-2,3-dimethylbutanamide.
What is the SMILES notation for N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-hydroxy-2,3-dimethylbutanamide?
The canonical SMILES for N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-hydroxy-2,3-dimethylbutanamide is CC(C)C(C)(O)C(=O)NCC1CN(C)CCN1C.
What is the InChIKey of N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-hydroxy-2,3-dimethylbutanamide?
The InChIKey is SFSXRBWXIBXHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-10(2)13(3,18)12(17)14-8-11-9-15(4)6-7-16(11)5/h10-11,18H,6-9H2,1-5H3,(H,14,17).
What are the key properties of N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-hydroxy-2,3-dimethylbutanamide?
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-hydroxy-2,3-dimethylbutanamide has a molecular weight of 257.38 g/mol, XLogP of -0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-hydroxy-2,3-dimethylbutanamide is sourced from PubChem (CID 154789742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).