2-methyl-4-[4-(2-methylpropyl)piperazin-1-yl]-2-(propylamino)butanamide

C16H34N4O — CID 62778180

IUPAC2-methyl-4-[4-(2-methylpropyl)piperazin-1-yl]-2-(propylamino)butanamide
SMILESCCCNC(C)(CCN1CCN(CC(C)C)CC1)C(N)=O
InChIInChI=1S/C16H34N4O/c1-5-7-18-16(4,15(17)21)6-8-19-9-11-20(12-10-19)13-14(2)3/h14,18H,5-13H2,1-4H3,(H2,17,21)
InChIKeyRPAALHWJQJLXGX-UHFFFAOYSA-N
MW298.48 g/mol
LogP0.89
Rot. Bonds9

About 2-methyl-4-[4-(2-methylpropyl)piperazin-1-yl]-2-(propylamino)butanamide

2-methyl-4-[4-(2-methylpropyl)piperazin-1-yl]-2-(propylamino)butanamide (PubChem CID 62778180) has the molecular formula C16H34N4O and a molecular weight of 298.48 g/mol. Its IUPAC name is 2-methyl-4-[4-(2-methylpropyl)piperazin-1-yl]-2-(propylamino)butanamide.

Molecular Properties

Compound Name2-methyl-4-[4-(2-methylpropyl)piperazin-1-yl]-2-(propylamino)butanamide
PubChem CID62778180
Molecular FormulaC16H34N4O
Molecular Weight298.48 g/mol
Exact Mass298.27
IUPAC Name2-methyl-4-[4-(2-methylpropyl)piperazin-1-yl]-2-(propylamino)butanamide
SMILESCCCNC(C)(CCN1CCN(CC(C)C)CC1)C(N)=O
InChIInChI=1S/C16H34N4O/c1-5-7-18-16(4,15(17)21)6-8-19-9-11-20(12-10-19)13-14(2)3/h14,18H,5-13H2,1-4H3,(H2,17,21)
InChIKeyRPAALHWJQJLXGX-UHFFFAOYSA-N
XLogP0.89
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.48
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-butan-2-ylpiperazin-1-yl)-2-methyl-2-(propylamino)butanamide
CID 62772520
2-methyl-5-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propylamino)pentanamide
CID 63210817
5-(3,4-dimethylpiperazin-1-yl)-2-methyl-2-(propylamino)pentanamide
CID 63635938
4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-methyl-2-(propylamino)butanamide
CID 102728063
2-methyl-2-(propylamino)-3-(3,4,5-trimethylpiperazin-1-yl)propanamide
CID 114539368
2-methyl-2-(propan-2-ylamino)-4-(4-propan-2-ylpiperidin-1-yl)butanamide
CID 103501950
4-[4-(2-methylpropyl)piperazin-1-yl]butanehydrazide
CID 63571513
4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(ethylamino)-2-methylbutanamide
CID 79935074
1-(2-methylpropyl)-4-(3,3,4,4-tetramethylpentyl)piperazine
CID 138647818
2-methyl-5-(2-methyl-1,4-oxazepan-4-yl)-2-(propylamino)pentanamide
CID 62974573
6-(3-methoxypiperidin-1-yl)-2-methyl-2-(propylamino)hexanamide
CID 102966457
5-(2,4-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)pentanamide
CID 62330562

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-(2-methylpropyl)piperazin-1-yl]-2-(propylamino)butanamide?
The IUPAC name of 2-methyl-4-[4-(2-methylpropyl)piperazin-1-yl]-2-(propylamino)butanamide (CID 62778180) is 2-methyl-4-[4-(2-methylpropyl)piperazin-1-yl]-2-(propylamino)butanamide.
What is the SMILES notation for 2-methyl-4-[4-(2-methylpropyl)piperazin-1-yl]-2-(propylamino)butanamide?
The canonical SMILES for 2-methyl-4-[4-(2-methylpropyl)piperazin-1-yl]-2-(propylamino)butanamide is CCCNC(C)(CCN1CCN(CC(C)C)CC1)C(N)=O.
What is the InChIKey of 2-methyl-4-[4-(2-methylpropyl)piperazin-1-yl]-2-(propylamino)butanamide?
The InChIKey is RPAALHWJQJLXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N4O/c1-5-7-18-16(4,15(17)21)6-8-19-9-11-20(12-10-19)13-14(2)3/h14,18H,5-13H2,1-4H3,(H2,17,21).
What are the key properties of 2-methyl-4-[4-(2-methylpropyl)piperazin-1-yl]-2-(propylamino)butanamide?
2-methyl-4-[4-(2-methylpropyl)piperazin-1-yl]-2-(propylamino)butanamide has a molecular weight of 298.48 g/mol, XLogP of 0.89, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-(2-methylpropyl)piperazin-1-yl]-2-(propylamino)butanamide is sourced from PubChem (CID 62778180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).