2-ethyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyrrolidine-2-carboxamide

C16H32N4O — CID 83063608

IUPAC2-ethyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyrrolidine-2-carboxamide
SMILESCCC1(C(=O)NCC(C)(C)N2CCN(C)CC2)CCCN1
InChIInChI=1S/C16H32N4O/c1-5-16(7-6-8-18-16)14(21)17-13-15(2,3)20-11-9-19(4)10-12-20/h18H,5-13H2,1-4H3,(H,17,21)
InChIKeyPHLUHCAJWXGDEK-UHFFFAOYSA-N
MW296.46 g/mol
LogP0.66
Rot. Bonds5

About 2-ethyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyrrolidine-2-carboxamide

2-ethyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyrrolidine-2-carboxamide (PubChem CID 83063608) has the molecular formula C16H32N4O and a molecular weight of 296.46 g/mol. Its IUPAC name is 2-ethyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyrrolidine-2-carboxamide
PubChem CID83063608
Molecular FormulaC16H32N4O
Molecular Weight296.46 g/mol
Exact Mass296.26
IUPAC Name2-ethyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyrrolidine-2-carboxamide
SMILESCCC1(C(=O)NCC(C)(C)N2CCN(C)CC2)CCCN1
InChIInChI=1S/C16H32N4O/c1-5-16(7-6-8-18-16)14(21)17-13-15(2,3)20-11-9-19(4)10-12-20/h18H,5-13H2,1-4H3,(H,17,21)
InChIKeyPHLUHCAJWXGDEK-UHFFFAOYSA-N
XLogP0.66
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-ethylpyrrolidine-2-carboxamide
CID 107163864
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-ethylpyrrolidine-2-carboxamide
CID 83079627
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-ethylpyrrolidine-2-carboxamide
CID 114009242
2-(1-aminocyclopentyl)-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]acetamide
CID 64677798
2-ethyl-N-prop-2-enylpyrrolidine-2-carboxamide
CID 83079812
N-(azetidin-3-yl)-2-ethylpyrrolidine-2-carboxamide;hydrochloride
CID 130637882
2-ethyl-N-(1-methylpiperidin-3-yl)pyrrolidine-2-carboxamide
CID 83071438
3-[(2-ethylpyrrolidine-2-carbonyl)amino]-2-methylpropanoic acid
CID 83071374
2-ethyl-N-[3-(methylamino)-3-oxopropyl]pyrrolidine-2-carboxamide
CID 83071991
N-(2,3-dihydroxypropyl)-2-ethylpyrrolidine-2-carboxamide
CID 83072487
2-ethyl-N-[(3-methyloxetan-3-yl)methyl]pyrrolidine-2-carboxamide
CID 83073298
(2R)-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]piperidine-2-carboxamide
CID 104913679

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyrrolidine-2-carboxamide?
The IUPAC name of 2-ethyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyrrolidine-2-carboxamide (CID 83063608) is 2-ethyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 2-ethyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 2-ethyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyrrolidine-2-carboxamide is CCC1(C(=O)NCC(C)(C)N2CCN(C)CC2)CCCN1.
What is the InChIKey of 2-ethyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyrrolidine-2-carboxamide?
The InChIKey is PHLUHCAJWXGDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O/c1-5-16(7-6-8-18-16)14(21)17-13-15(2,3)20-11-9-19(4)10-12-20/h18H,5-13H2,1-4H3,(H,17,21).
What are the key properties of 2-ethyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyrrolidine-2-carboxamide?
2-ethyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyrrolidine-2-carboxamide has a molecular weight of 296.46 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 83063608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).