2-(cyclopropylamino)-5-(4-ethyl-3-methylpiperazin-1-yl)-2-methylpentanamide

C16H32N4O — CID 63634892

IUPAC2-(cyclopropylamino)-5-(4-ethyl-3-methylpiperazin-1-yl)-2-methylpentanamide
SMILESCCN1CCN(CCCC(C)(NC2CC2)C(N)=O)CC1C
InChIInChI=1S/C16H32N4O/c1-4-20-11-10-19(12-13(20)2)9-5-8-16(3,15(17)21)18-14-6-7-14/h13-14,18H,4-12H2,1-3H3,(H2,17,21)
InChIKeySNASJQRHNAEKPP-UHFFFAOYSA-N
MW296.46 g/mol
LogP0.79
Rot. Bonds8

About 2-(cyclopropylamino)-5-(4-ethyl-3-methylpiperazin-1-yl)-2-methylpentanamide

2-(cyclopropylamino)-5-(4-ethyl-3-methylpiperazin-1-yl)-2-methylpentanamide (PubChem CID 63634892) has the molecular formula C16H32N4O and a molecular weight of 296.46 g/mol. Its IUPAC name is 2-(cyclopropylamino)-5-(4-ethyl-3-methylpiperazin-1-yl)-2-methylpentanamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-5-(4-ethyl-3-methylpiperazin-1-yl)-2-methylpentanamide
PubChem CID63634892
Molecular FormulaC16H32N4O
Molecular Weight296.46 g/mol
Exact Mass296.26
IUPAC Name2-(cyclopropylamino)-5-(4-ethyl-3-methylpiperazin-1-yl)-2-methylpentanamide
SMILESCCN1CCN(CCCC(C)(NC2CC2)C(N)=O)CC1C
InChIInChI=1S/C16H32N4O/c1-4-20-11-10-19(12-13(20)2)9-5-8-16(3,15(17)21)18-14-6-7-14/h13-14,18H,4-12H2,1-3H3,(H2,17,21)
InChIKeySNASJQRHNAEKPP-UHFFFAOYSA-N
XLogP0.79
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethylamino)-5-(4-ethyl-3-methylpiperazin-1-yl)-2-methylpentanamide
CID 63634712
2-(cyclopropylamino)-5-[3-(dimethylamino)pyrrolidin-1-yl]-2-methylpentanamide
CID 63165814
2-(cyclopropylamino)-5-(3-methoxypiperidin-1-yl)-2-methylpentanamide
CID 102966587
2-(cyclopropylamino)-4-(3,4-dimethylpyrrolidin-1-yl)-2-methylbutanamide
CID 79184111
4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(cyclopropylamino)-2-methylbutanamide
CID 79916763
5-(3,4-dimethylpiperazin-1-yl)-2-methyl-2-(propylamino)pentanamide
CID 63635938
2-(cyclopropylamino)-5-(1,3-dihydroisoindol-2-yl)-2-methylpentanamide
CID 62232161
2-(cyclopropylamino)-2-methyl-3-(3,4,5-trimethylpiperazin-1-yl)propanamide
CID 114539436
4-(4-ethyl-3-methylpiperazin-1-yl)-2-methyl-2-(methylamino)butanoic acid
CID 63633318
2-(cyclopropylamino)-6-(2,3-dimethylpiperidin-1-yl)-2-methylhexanamide
CID 62122902
5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(ethylamino)-2-methylpentanamide
CID 79917010
4-(4-ethyl-3-methylpiperazin-1-yl)butanimidamide
CID 63608845

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-5-(4-ethyl-3-methylpiperazin-1-yl)-2-methylpentanamide?
The IUPAC name of 2-(cyclopropylamino)-5-(4-ethyl-3-methylpiperazin-1-yl)-2-methylpentanamide (CID 63634892) is 2-(cyclopropylamino)-5-(4-ethyl-3-methylpiperazin-1-yl)-2-methylpentanamide.
What is the SMILES notation for 2-(cyclopropylamino)-5-(4-ethyl-3-methylpiperazin-1-yl)-2-methylpentanamide?
The canonical SMILES for 2-(cyclopropylamino)-5-(4-ethyl-3-methylpiperazin-1-yl)-2-methylpentanamide is CCN1CCN(CCCC(C)(NC2CC2)C(N)=O)CC1C.
What is the InChIKey of 2-(cyclopropylamino)-5-(4-ethyl-3-methylpiperazin-1-yl)-2-methylpentanamide?
The InChIKey is SNASJQRHNAEKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O/c1-4-20-11-10-19(12-13(20)2)9-5-8-16(3,15(17)21)18-14-6-7-14/h13-14,18H,4-12H2,1-3H3,(H2,17,21).
What are the key properties of 2-(cyclopropylamino)-5-(4-ethyl-3-methylpiperazin-1-yl)-2-methylpentanamide?
2-(cyclopropylamino)-5-(4-ethyl-3-methylpiperazin-1-yl)-2-methylpentanamide has a molecular weight of 296.46 g/mol, XLogP of 0.79, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-5-(4-ethyl-3-methylpiperazin-1-yl)-2-methylpentanamide is sourced from PubChem (CID 63634892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).