N-butan-2-yl-2-(2-methylpiperazin-1-yl)propanamide

C12H25N3O — CID 62671760

IUPACN-butan-2-yl-2-(2-methylpiperazin-1-yl)propanamide
SMILESCCC(C)NC(=O)C(C)N1CCNCC1C
InChIInChI=1S/C12H25N3O/c1-5-9(2)14-12(16)11(4)15-7-6-13-8-10(15)3/h9-11,13H,5-8H2,1-4H3,(H,14,16)
InChIKeyLEUHMFHQHFBSNL-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.58
Rot. Bonds4

About N-butan-2-yl-2-(2-methylpiperazin-1-yl)propanamide

N-butan-2-yl-2-(2-methylpiperazin-1-yl)propanamide (PubChem CID 62671760) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is N-butan-2-yl-2-(2-methylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(2-methylpiperazin-1-yl)propanamide
PubChem CID62671760
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC NameN-butan-2-yl-2-(2-methylpiperazin-1-yl)propanamide
SMILESCCC(C)NC(=O)C(C)N1CCNCC1C
InChIInChI=1S/C12H25N3O/c1-5-9(2)14-12(16)11(4)15-7-6-13-8-10(15)3/h9-11,13H,5-8H2,1-4H3,(H,14,16)
InChIKeyLEUHMFHQHFBSNL-UHFFFAOYSA-N
XLogP0.58
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-[(2R)-2-methylpiperazin-1-yl]propanamide
CID 82761351
N-butan-2-yl-2-(2,5-dimethylpiperazin-1-yl)propanamide
CID 64980597
3-[(2S)-2-methylpiperazin-1-yl]butanoic acid
CID 82755213
N-methyl-2-(2-methyl-1,4-diazepan-1-yl)propanamide
CID 127006822
2-(2-methylpiperazin-1-yl)butanoic acid
CID 64663395
2-[(2R)-2-methylpiperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 82755930
N-(furan-2-ylmethyl)-2-(2-methylpiperazin-1-yl)propanamide
CID 62671401
N-butan-2-yl-2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propanamide
CID 66209518
2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-butan-2-ylpropanamide
CID 80506896
(2R)-2-methyl-1-[(2S)-pentan-2-yl]piperazine
CID 124680628
2-methyl-3-[(2R)-2-methylpiperazin-1-yl]butanoic acid
CID 82761791
(2S)-2-methyl-1-propan-2-ylpiperazine;dihydrochloride
CID 57463733

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(2-methylpiperazin-1-yl)propanamide?
The IUPAC name of N-butan-2-yl-2-(2-methylpiperazin-1-yl)propanamide (CID 62671760) is N-butan-2-yl-2-(2-methylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-butan-2-yl-2-(2-methylpiperazin-1-yl)propanamide?
The canonical SMILES for N-butan-2-yl-2-(2-methylpiperazin-1-yl)propanamide is CCC(C)NC(=O)C(C)N1CCNCC1C.
What is the InChIKey of N-butan-2-yl-2-(2-methylpiperazin-1-yl)propanamide?
The InChIKey is LEUHMFHQHFBSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-5-9(2)14-12(16)11(4)15-7-6-13-8-10(15)3/h9-11,13H,5-8H2,1-4H3,(H,14,16).
What are the key properties of N-butan-2-yl-2-(2-methylpiperazin-1-yl)propanamide?
N-butan-2-yl-2-(2-methylpiperazin-1-yl)propanamide has a molecular weight of 227.35 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(2-methylpiperazin-1-yl)propanamide is sourced from PubChem (CID 62671760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).