2-methyl-N-[3-methyl-1-(4-methylpiperazin-1-yl)butan-2-yl]propanamide

C14H29N3O — CID 163271288

IUPAC2-methyl-N-[3-methyl-1-(4-methylpiperazin-1-yl)butan-2-yl]propanamide
SMILESCC(C)C(=O)NC(CN1CCN(C)CC1)C(C)C
InChIInChI=1S/C14H29N3O/c1-11(2)13(15-14(18)12(3)4)10-17-8-6-16(5)7-9-17/h11-13H,6-10H2,1-5H3,(H,15,18)
InChIKeyQDXVRNDVAHXWHL-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.03
Rot. Bonds5

About 2-methyl-N-[3-methyl-1-(4-methylpiperazin-1-yl)butan-2-yl]propanamide

2-methyl-N-[3-methyl-1-(4-methylpiperazin-1-yl)butan-2-yl]propanamide (PubChem CID 163271288) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 2-methyl-N-[3-methyl-1-(4-methylpiperazin-1-yl)butan-2-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[3-methyl-1-(4-methylpiperazin-1-yl)butan-2-yl]propanamide
PubChem CID163271288
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name2-methyl-N-[3-methyl-1-(4-methylpiperazin-1-yl)butan-2-yl]propanamide
SMILESCC(C)C(=O)NC(CN1CCN(C)CC1)C(C)C
InChIInChI=1S/C14H29N3O/c1-11(2)13(15-14(18)12(3)4)10-17-8-6-16(5)7-9-17/h11-13H,6-10H2,1-5H3,(H,15,18)
InChIKeyQDXVRNDVAHXWHL-UHFFFAOYSA-N
XLogP1.03
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[(2R)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]propanamide
CID 167386314
2-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]propanamide
CID 167386473
N-[(2S)-1-(azetidin-1-yl)-3-methylbutan-2-yl]-2-methylpropanamide
CID 167034979
2-methyl-N-[3-methyl-1-(4-methyl-3-oxopiperazin-1-yl)butan-2-yl]propanamide
CID 169251204
ethane;2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide
CID 178091821
N-[(2S)-3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-2-yl]acetamide
CID 163271287
1,4-dimethylpiperazine;2-methyl-N-(2-methylpropyl)propanamide
CID 163271677
2-methyl-N-[(2R)-3-methyl-1-(2-oxopyrrolidin-1-yl)butan-2-yl]propanamide
CID 176871269
(2S)-2-amino-3,3-dimethyl-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]butanamide;trihydrochloride
CID 119902941
2-methyl-N-[(2S)-4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]propanamide
CID 110285648
N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2-methylpropanamide
CID 39086818
(2R)-2-methyl-3-(4-methylpiperazin-1-yl)propanoic acid
CID 51704160

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-methyl-1-(4-methylpiperazin-1-yl)butan-2-yl]propanamide?
The IUPAC name of 2-methyl-N-[3-methyl-1-(4-methylpiperazin-1-yl)butan-2-yl]propanamide (CID 163271288) is 2-methyl-N-[3-methyl-1-(4-methylpiperazin-1-yl)butan-2-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[3-methyl-1-(4-methylpiperazin-1-yl)butan-2-yl]propanamide?
The canonical SMILES for 2-methyl-N-[3-methyl-1-(4-methylpiperazin-1-yl)butan-2-yl]propanamide is CC(C)C(=O)NC(CN1CCN(C)CC1)C(C)C.
What is the InChIKey of 2-methyl-N-[3-methyl-1-(4-methylpiperazin-1-yl)butan-2-yl]propanamide?
The InChIKey is QDXVRNDVAHXWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-11(2)13(15-14(18)12(3)4)10-17-8-6-16(5)7-9-17/h11-13H,6-10H2,1-5H3,(H,15,18).
What are the key properties of 2-methyl-N-[3-methyl-1-(4-methylpiperazin-1-yl)butan-2-yl]propanamide?
2-methyl-N-[3-methyl-1-(4-methylpiperazin-1-yl)butan-2-yl]propanamide has a molecular weight of 255.41 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-methyl-1-(4-methylpiperazin-1-yl)butan-2-yl]propanamide is sourced from PubChem (CID 163271288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).