2-methyl-2-(propan-2-ylamino)-4-(4-propylpiperazin-1-yl)pentanamide

C16H34N4O — CID 64726163

IUPAC2-methyl-2-(propan-2-ylamino)-4-(4-propylpiperazin-1-yl)pentanamide
SMILESCCCN1CCN(C(C)CC(C)(NC(C)C)C(N)=O)CC1
InChIInChI=1S/C16H34N4O/c1-6-7-19-8-10-20(11-9-19)14(4)12-16(5,15(17)21)18-13(2)3/h13-14,18H,6-12H2,1-5H3,(H2,17,21)
InChIKeyRPTAGYDTGCHZOA-UHFFFAOYSA-N
MW298.47 g/mol
LogP1.03
Rot. Bonds8

About 2-methyl-2-(propan-2-ylamino)-4-(4-propylpiperazin-1-yl)pentanamide

2-methyl-2-(propan-2-ylamino)-4-(4-propylpiperazin-1-yl)pentanamide (PubChem CID 64726163) has the molecular formula C16H34N4O and a molecular weight of 298.47 g/mol. Its IUPAC name is 2-methyl-2-(propan-2-ylamino)-4-(4-propylpiperazin-1-yl)pentanamide.

Molecular Properties

Compound Name2-methyl-2-(propan-2-ylamino)-4-(4-propylpiperazin-1-yl)pentanamide
PubChem CID64726163
Molecular FormulaC16H34N4O
Molecular Weight298.47 g/mol
Exact Mass298.27
IUPAC Name2-methyl-2-(propan-2-ylamino)-4-(4-propylpiperazin-1-yl)pentanamide
SMILESCCCN1CCN(C(C)CC(C)(NC(C)C)C(N)=O)CC1
InChIInChI=1S/C16H34N4O/c1-6-7-19-8-10-20(11-9-19)14(4)12-16(5,15(17)21)18-13(2)3/h13-14,18H,6-12H2,1-5H3,(H2,17,21)
InChIKeyRPTAGYDTGCHZOA-UHFFFAOYSA-N
XLogP1.03
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-(propan-2-ylamino)-4-(4-propylpiperazin-1-yl)pentanoic acid
CID 64725762
2-methyl-2-(propan-2-ylamino)-4-pyrrolidin-1-ylpentanamide
CID 64725372
4-(4-ethoxypiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanamide
CID 64710220
4-(4-methoxypiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanamide
CID 64709380
4-(4-butan-2-ylpiperazin-1-yl)-2-methyl-2-(propylamino)butanamide
CID 62772520
4-(2-ethylmorpholin-4-yl)-2-methyl-2-(propan-2-ylamino)pentanamide
CID 64711142
1-amino-2-methyl-4-(4-propylpiperazin-1-yl)pentan-2-ol
CID 64820469
4-(2,2-dimethylmorpholin-4-yl)-2-methyl-2-(propan-2-ylamino)pentanamide
CID 64710389
2-methyl-2-(propan-2-ylamino)-4-(4-propan-2-ylpiperidin-1-yl)butanamide
CID 103501950
ethyl 2-methyl-4-(4-methylpiperidin-1-yl)-2-(propan-2-ylamino)pentanoate
CID 64725967
2-methyl-2-(propylamino)-4-(4-propylpiperazin-1-yl)pentan-1-ol
CID 64796479
2-(ethylamino)-2-methyl-4-(4-propylpiperidin-1-yl)pentanamide
CID 64703137

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(propan-2-ylamino)-4-(4-propylpiperazin-1-yl)pentanamide?
The IUPAC name of 2-methyl-2-(propan-2-ylamino)-4-(4-propylpiperazin-1-yl)pentanamide (CID 64726163) is 2-methyl-2-(propan-2-ylamino)-4-(4-propylpiperazin-1-yl)pentanamide.
What is the SMILES notation for 2-methyl-2-(propan-2-ylamino)-4-(4-propylpiperazin-1-yl)pentanamide?
The canonical SMILES for 2-methyl-2-(propan-2-ylamino)-4-(4-propylpiperazin-1-yl)pentanamide is CCCN1CCN(C(C)CC(C)(NC(C)C)C(N)=O)CC1.
What is the InChIKey of 2-methyl-2-(propan-2-ylamino)-4-(4-propylpiperazin-1-yl)pentanamide?
The InChIKey is RPTAGYDTGCHZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N4O/c1-6-7-19-8-10-20(11-9-19)14(4)12-16(5,15(17)21)18-13(2)3/h13-14,18H,6-12H2,1-5H3,(H2,17,21).
What are the key properties of 2-methyl-2-(propan-2-ylamino)-4-(4-propylpiperazin-1-yl)pentanamide?
2-methyl-2-(propan-2-ylamino)-4-(4-propylpiperazin-1-yl)pentanamide has a molecular weight of 298.47 g/mol, XLogP of 1.03, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(propan-2-ylamino)-4-(4-propylpiperazin-1-yl)pentanamide is sourced from PubChem (CID 64726163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).