4-(4-butan-2-ylpiperazin-1-yl)-2-methyl-2-(propylamino)butanamide

C16H34N4O — CID 62772520

IUPAC4-(4-butan-2-ylpiperazin-1-yl)-2-methyl-2-(propylamino)butanamide
SMILESCCCNC(C)(CCN1CCN(C(C)CC)CC1)C(N)=O
InChIInChI=1S/C16H34N4O/c1-5-8-18-16(4,15(17)21)7-9-19-10-12-20(13-11-19)14(3)6-2/h14,18H,5-13H2,1-4H3,(H2,17,21)
InChIKeyOKZPEYSCMDPKLC-UHFFFAOYSA-N
MW298.48 g/mol
LogP1.04
Rot. Bonds9

About 4-(4-butan-2-ylpiperazin-1-yl)-2-methyl-2-(propylamino)butanamide

4-(4-butan-2-ylpiperazin-1-yl)-2-methyl-2-(propylamino)butanamide (PubChem CID 62772520) has the molecular formula C16H34N4O and a molecular weight of 298.48 g/mol. Its IUPAC name is 4-(4-butan-2-ylpiperazin-1-yl)-2-methyl-2-(propylamino)butanamide.

Molecular Properties

Compound Name4-(4-butan-2-ylpiperazin-1-yl)-2-methyl-2-(propylamino)butanamide
PubChem CID62772520
Molecular FormulaC16H34N4O
Molecular Weight298.48 g/mol
Exact Mass298.27
IUPAC Name4-(4-butan-2-ylpiperazin-1-yl)-2-methyl-2-(propylamino)butanamide
SMILESCCCNC(C)(CCN1CCN(C(C)CC)CC1)C(N)=O
InChIInChI=1S/C16H34N4O/c1-5-8-18-16(4,15(17)21)7-9-19-10-12-20(13-11-19)14(3)6-2/h14,18H,5-13H2,1-4H3,(H2,17,21)
InChIKeyOKZPEYSCMDPKLC-UHFFFAOYSA-N
XLogP1.04
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 ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-[4-(2-methylpropyl)piperazin-1-yl]-2-(propylamino)butanamide
CID 62778180
4-(4-butan-2-ylpiperazin-1-yl)-2,2-dimethylbutanoic acid
CID 65248291
2-methyl-2-(propan-2-ylamino)-4-(4-propylpiperazin-1-yl)pentanamide
CID 64726163
3-(4-butan-2-ylpiperazin-1-yl)propanamide
CID 62772700
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
3-(4-butan-2-ylpiperazin-1-yl)-N-pentylpropanamide
CID 156820113
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
methyl 3-(4-butan-2-ylpiperazin-1-yl)-2-(propylamino)propanoate
CID 62773852
2-methyl-2-(propylamino)-4-(4-propylpiperazin-1-yl)pentan-1-ol
CID 64796479
2-methyl-2-(propan-2-ylamino)-4-(4-propan-2-ylpiperidin-1-yl)butanamide
CID 103501950

Frequently Asked Questions

What is the IUPAC name of 4-(4-butan-2-ylpiperazin-1-yl)-2-methyl-2-(propylamino)butanamide?
The IUPAC name of 4-(4-butan-2-ylpiperazin-1-yl)-2-methyl-2-(propylamino)butanamide (CID 62772520) is 4-(4-butan-2-ylpiperazin-1-yl)-2-methyl-2-(propylamino)butanamide.
What is the SMILES notation for 4-(4-butan-2-ylpiperazin-1-yl)-2-methyl-2-(propylamino)butanamide?
The canonical SMILES for 4-(4-butan-2-ylpiperazin-1-yl)-2-methyl-2-(propylamino)butanamide is CCCNC(C)(CCN1CCN(C(C)CC)CC1)C(N)=O.
What is the InChIKey of 4-(4-butan-2-ylpiperazin-1-yl)-2-methyl-2-(propylamino)butanamide?
The InChIKey is OKZPEYSCMDPKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N4O/c1-5-8-18-16(4,15(17)21)7-9-19-10-12-20(13-11-19)14(3)6-2/h14,18H,5-13H2,1-4H3,(H2,17,21).
What are the key properties of 4-(4-butan-2-ylpiperazin-1-yl)-2-methyl-2-(propylamino)butanamide?
4-(4-butan-2-ylpiperazin-1-yl)-2-methyl-2-(propylamino)butanamide has a molecular weight of 298.48 g/mol, XLogP of 1.04, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butan-2-ylpiperazin-1-yl)-2-methyl-2-(propylamino)butanamide is sourced from PubChem (CID 62772520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).