4-(4-ethyl-3-methylpiperazin-1-yl)-2-methyl-2-(methylamino)pentanamide

C14H30N4O — CID 64704195

IUPAC4-(4-ethyl-3-methylpiperazin-1-yl)-2-methyl-2-(methylamino)pentanamide
SMILESCCN1CCN(C(C)CC(C)(NC)C(N)=O)CC1C
InChIInChI=1S/C14H30N4O/c1-6-17-7-8-18(10-12(17)3)11(2)9-14(4,16-5)13(15)19/h11-12,16H,6-10H2,1-5H3,(H2,15,19)
InChIKeyBCIKUKYDBPUOPW-UHFFFAOYSA-N
MW270.42 g/mol
LogP0.25
Rot. Bonds6

About 4-(4-ethyl-3-methylpiperazin-1-yl)-2-methyl-2-(methylamino)pentanamide

4-(4-ethyl-3-methylpiperazin-1-yl)-2-methyl-2-(methylamino)pentanamide (PubChem CID 64704195) has the molecular formula C14H30N4O and a molecular weight of 270.42 g/mol. Its IUPAC name is 4-(4-ethyl-3-methylpiperazin-1-yl)-2-methyl-2-(methylamino)pentanamide.

Molecular Properties

Compound Name4-(4-ethyl-3-methylpiperazin-1-yl)-2-methyl-2-(methylamino)pentanamide
PubChem CID64704195
Molecular FormulaC14H30N4O
Molecular Weight270.42 g/mol
Exact Mass270.24
IUPAC Name4-(4-ethyl-3-methylpiperazin-1-yl)-2-methyl-2-(methylamino)pentanamide
SMILESCCN1CCN(C(C)CC(C)(NC)C(N)=O)CC1C
InChIInChI=1S/C14H30N4O/c1-6-17-7-8-18(10-12(17)3)11(2)9-14(4,16-5)13(15)19/h11-12,16H,6-10H2,1-5H3,(H2,15,19)
InChIKeyBCIKUKYDBPUOPW-UHFFFAOYSA-N
XLogP0.25
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-(methylamino)-4-(4-methylazepan-1-yl)pentanamide
CID 64704813
4-(4,4-diethylpiperidin-1-yl)-2-methyl-2-(methylamino)pentanamide
CID 64705176
4-(3,4-dimethylpyrrolidin-1-yl)-2-(ethylamino)-2-methylpentanamide
CID 79184110
4-(4-ethyl-3-methylpiperazin-1-yl)-2-methyl-2-(methylamino)butanoic acid
CID 63633318
2-(4-ethyl-3-methylpiperazin-1-yl)-N'-hydroxypropanimidamide
CID 77000740
N-[2-(4-ethyl-3-methylpiperazin-1-yl)propyl]pentan-2-amine
CID 63621701
2-(4-ethyl-3-methylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 63619316
2-(ethylamino)-5-(4-ethyl-3-methylpiperazin-1-yl)-2-methylpentanamide
CID 63634712
2-methyl-2-(methylamino)-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentanoic acid
CID 64705569
2-methyl-2-(methylamino)-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentanoic acid
CID 79174927
4-[3-(diethylamino)pyrrolidin-1-yl]-2-methyl-2-(methylamino)pentanoic acid
CID 64704175
2-methyl-2-(propan-2-ylamino)-4-pyrrolidin-1-ylpentanamide
CID 64725372

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethyl-3-methylpiperazin-1-yl)-2-methyl-2-(methylamino)pentanamide?
The IUPAC name of 4-(4-ethyl-3-methylpiperazin-1-yl)-2-methyl-2-(methylamino)pentanamide (CID 64704195) is 4-(4-ethyl-3-methylpiperazin-1-yl)-2-methyl-2-(methylamino)pentanamide.
What is the SMILES notation for 4-(4-ethyl-3-methylpiperazin-1-yl)-2-methyl-2-(methylamino)pentanamide?
The canonical SMILES for 4-(4-ethyl-3-methylpiperazin-1-yl)-2-methyl-2-(methylamino)pentanamide is CCN1CCN(C(C)CC(C)(NC)C(N)=O)CC1C.
What is the InChIKey of 4-(4-ethyl-3-methylpiperazin-1-yl)-2-methyl-2-(methylamino)pentanamide?
The InChIKey is BCIKUKYDBPUOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O/c1-6-17-7-8-18(10-12(17)3)11(2)9-14(4,16-5)13(15)19/h11-12,16H,6-10H2,1-5H3,(H2,15,19).
What are the key properties of 4-(4-ethyl-3-methylpiperazin-1-yl)-2-methyl-2-(methylamino)pentanamide?
4-(4-ethyl-3-methylpiperazin-1-yl)-2-methyl-2-(methylamino)pentanamide has a molecular weight of 270.42 g/mol, XLogP of 0.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethyl-3-methylpiperazin-1-yl)-2-methyl-2-(methylamino)pentanamide is sourced from PubChem (CID 64704195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).